(E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one

C146H272N30O9 — CID 163997789

IUPAC(E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
SMILESC=C(/C=C/CN1CCCCC1)N1CCN(C(C)C)CC1.C=C(/C=C/CNC)N1CCN(C(C)C)CC1.C=CC(=O)N1C(C)CN(C(C)C)CC1C.C=CC(=O)N1CC(C)N(C(C)C)CC1C.C=CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/C2CCCN2C)CC1.CC(C)N1CCN(C(=O)/C=C/CN(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/CN)CC1.CC(C)N1CCN(C(=O)/C=C/CNC(C)(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/CNC2CC2)CC1.CC(C)NC/C=C/C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H31N3.C15H27N3O.C15H29N3O.C14H25N3O.C14H27N3O.C13H25N3O.C13H25N3.2C12H22N2O.C11H21N3O.C10H18N2O/c1-16(2)19-12-14-20(15-13-19)17(3)8-7-11-18-9-5-4-6-10-18;1-13(2)17-9-11-18(12-10-17)15(19)7-6-14-5-4-8-16(14)3;1-13(2)17-9-11-18(12-10-17)14(19)7-6-8-16-15(3,4)5;1-12(2)16-8-10-17(11-9-16)14(18)4-3-7-15-13-5-6-13;1-12(2)15-7-5-6-14(18)17-10-8-16(9-11-17)13(3)4;1-12(2)15-8-10-16(11-9-15)13(17)6-5-7-14(3)4;1-12(2)15-8-10-16(11-9-15)13(3)6-5-7-14-4;1-6-12(15)14-8-10(4)13(9(2)3)7-11(14)5;1-6-12(15)14-10(4)7-13(9(2)3)8-11(14)5;1-10(2)13-6-8-14(9-7-13)11(15)4-3-5-12;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h7-8,16H,3-6,9-15H2,1-2H3;6-7,13-14H,4-5,8-12H2,1-3H3;6-7,13,16H,8-12H2,1-5H3;3-4,12-13,15H,5-11H2,1-2H3;5-6,12-13,15H,7-11H2,1-4H3;5-6,12H,7-11H2,1-4H3;5-6,12,14H,3,7-11H2,1-2,4H3;2*6,9-11H,1,7-8H2,2-5H3;3-4,10H,5-9,12H2,1-2H3;4,9H,1,5-8H2,2-3H3/b8-7+;2*7-6+;4-3+;3*6-5+;;;4-3+;
InChIKeyUGFSZMURNXYOEF-KEHQGISISA-N
MW2591.98 g/mol
LogP12.92
Rot. Bonds40

About (E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one

(E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 163997789) has the molecular formula C146H272N30O9 and a molecular weight of 2591.98 g/mol. Its IUPAC name is (E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
PubChem CID163997789
Molecular FormulaC146H272N30O9
Molecular Weight2591.98 g/mol
Exact Mass2590.17
IUPAC Name(E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
SMILESC=C(/C=C/CN1CCCCC1)N1CCN(C(C)C)CC1.C=C(/C=C/CNC)N1CCN(C(C)C)CC1.C=CC(=O)N1C(C)CN(C(C)C)CC1C.C=CC(=O)N1CC(C)N(C(C)C)CC1C.C=CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/C2CCCN2C)CC1.CC(C)N1CCN(C(=O)/C=C/CN(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/CN)CC1.CC(C)N1CCN(C(=O)/C=C/CNC(C)(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/CNC2CC2)CC1.CC(C)NC/C=C/C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H31N3.C15H27N3O.C15H29N3O.C14H25N3O.C14H27N3O.C13H25N3O.C13H25N3.2C12H22N2O.C11H21N3O.C10H18N2O/c1-16(2)19-12-14-20(15-13-19)17(3)8-7-11-18-9-5-4-6-10-18;1-13(2)17-9-11-18(12-10-17)15(19)7-6-14-5-4-8-16(14)3;1-13(2)17-9-11-18(12-10-17)14(19)7-6-8-16-15(3,4)5;1-12(2)16-8-10-17(11-9-16)14(18)4-3-7-15-13-5-6-13;1-12(2)15-7-5-6-14(18)17-10-8-16(9-11-17)13(3)4;1-12(2)15-8-10-16(11-9-15)13(17)6-5-7-14(3)4;1-12(2)15-8-10-16(11-9-15)13(3)6-5-7-14-4;1-6-12(15)14-8-10(4)13(9(2)3)7-11(14)5;1-6-12(15)14-10(4)7-13(9(2)3)8-11(14)5;1-10(2)13-6-8-14(9-7-13)11(15)4-3-5-12;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h7-8,16H,3-6,9-15H2,1-2H3;6-7,13-14H,4-5,8-12H2,1-3H3;6-7,13,16H,8-12H2,1-5H3;3-4,12-13,15H,5-11H2,1-2H3;5-6,12-13,15H,7-11H2,1-4H3;5-6,12H,7-11H2,1-4H3;5-6,12,14H,3,7-11H2,1-2,4H3;2*6,9-11H,1,7-8H2,2-5H3;3-4,10H,5-9,12H2,1-2H3;4,9H,1,5-8H2,2-3H3/b8-7+;2*7-6+;4-3+;3*6-5+;;;4-3+;
InChIKeyUGFSZMURNXYOEF-KEHQGISISA-N
XLogP12.92
TPSA308.77 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002591.98
LogP ≤ 512.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one
CID 153292232
(Z)-4-(dimethylamino)-2-fluoro-1-(3-methyl-4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(Z)-4-(dimethylamino)-2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(3-methyl-4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-[2-(hydroxymethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[3-(hydroxymethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);1-(2-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 158030872
(E)-5-(2-methyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)hex-2-en-1-one
CID 152978167
1-[(2S,6R)-2,6-dimethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 154591417
1-[4-(dimethylamino)but-2-enoyl]piperidine-3-carboxylic acid
CID 138491070
(2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine
CID 142593526
(E)-1-[3-[(cyclohexylamino)methyl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 129306627
(Z)-2-fluoro-4-[methyl-[3-(3-methyl-4-prop-2-enoylpiperazin-1-yl)butyl]amino]-1-(3-methyl-4-propan-2-ylpiperazin-1-yl)but-2-en-1-one
CID 174261079
N-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-6-(3-phenoxyprop-1-ynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(E)-4-(dimethylamino)-1-[3-[[8-[3-(4-methoxyphenoxy)prop-1-ynyl]-7H-purin-6-yl]amino]pyrrolidin-1-yl]but-2-en-1-one;N-[1-[(3E)-5-(dimethylamino)penta-1,3-dien-2-yl]pyrrolidin-3-yl]-6-(3-phenoxyprop-1-ynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(E)-4-(dimethylamino)-1-[(3R)-3-[[8-(3-phenoxyprop-1-ynyl)-7H-purin-6-yl]amino]pyrrolidin-1-yl]but-2-en-1-one;N-[1-[(3E)-5-(methylamino)penta-1,3-dien-2-yl]pyrrolidin-3-yl]-6-(3-phenoxyprop-1-ynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[1-[(3E)-5-morpholin-4-ylpenta-1,3-dien-2-yl]pyrrolidin-3-yl]-6-(3-phenoxyprop-1-ynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(3R)-3-[[8-(3-phenoxyprop-1-ynyl)-7H-purin-6-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 158464690
(E)-1-(4-aminopiperidin-1-yl)-4-pyrrolidin-1-ylbut-2-en-1-one
CID 70888666
1-[(E)-4-(dimethylamino)but-2-enoyl]piperidine-4-carbaldehyde
CID 166115709
1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156531720

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one (CID 163997789) is (E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one is C=C(/C=C/CN1CCCCC1)N1CCN(C(C)C)CC1.C=C(/C=C/CNC)N1CCN(C(C)C)CC1.C=CC(=O)N1C(C)CN(C(C)C)CC1C.C=CC(=O)N1CC(C)N(C(C)C)CC1C.C=CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/C2CCCN2C)CC1.CC(C)N1CCN(C(=O)/C=C/CN(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/CN)CC1.CC(C)N1CCN(C(=O)/C=C/CNC(C)(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/CNC2CC2)CC1.CC(C)NC/C=C/C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of (E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is UGFSZMURNXYOEF-KEHQGISISA-N. The full InChI is InChI=1S/C17H31N3.C15H27N3O.C15H29N3O.C14H25N3O.C14H27N3O.C13H25N3O.C13H25N3.2C12H22N2O.C11H21N3O.C10H18N2O/c1-16(2)19-12-14-20(15-13-19)17(3)8-7-11-18-9-5-4-6-10-18;1-13(2)17-9-11-18(12-10-17)15(19)7-6-14-5-4-8-16(14)3;1-13(2)17-9-11-18(12-10-17)14(19)7-6-8-16-15(3,4)5;1-12(2)16-8-10-17(11-9-16)14(18)4-3-7-15-13-5-6-13;1-12(2)15-7-5-6-14(18)17-10-8-16(9-11-17)13(3)4;1-12(2)15-8-10-16(11-9-15)13(17)6-5-7-14(3)4;1-12(2)15-8-10-16(11-9-15)13(3)6-5-7-14-4;1-6-12(15)14-8-10(4)13(9(2)3)7-11(14)5;1-6-12(15)14-10(4)7-13(9(2)3)8-11(14)5;1-10(2)13-6-8-14(9-7-13)11(15)4-3-5-12;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h7-8,16H,3-6,9-15H2,1-2H3;6-7,13-14H,4-5,8-12H2,1-3H3;6-7,13,16H,8-12H2,1-5H3;3-4,12-13,15H,5-11H2,1-2H3;5-6,12-13,15H,7-11H2,1-4H3;5-6,12H,7-11H2,1-4H3;5-6,12,14H,3,7-11H2,1-2,4H3;2*6,9-11H,1,7-8H2,2-5H3;3-4,10H,5-9,12H2,1-2H3;4,9H,1,5-8H2,2-3H3/b8-7+;2*7-6+;4-3+;3*6-5+;;;4-3+;.
What are the key properties of (E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one?
(E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 2591.98 g/mol, XLogP of 12.92, 40 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(tert-butylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(cyclopropylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(2,5-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(2,6-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(2E)-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)penta-2,4-dien-1-amine;(E)-3-(1-methylpyrrolidin-2-yl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[(3E)-5-piperidin-1-ylpenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine;(E)-4-(propan-2-ylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 163997789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).