(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

C132H244F2N26O13 — CID 158030872

IUPAC(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
SMILESC=C(CC)C(=O)N1CCN(C(C)C)CC1.C=C(CC)C(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)C(C)C1.C=CC(=O)N1CCN(C(C)C)C(CO)C1.C=CC(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)CC1C.C=CC(=O)N1CCN(C(C)C)CC1CO.CC(C)N1CCN(C(=O)/C(F)=C/CN(C)C)CC1.CC(C)N1CCN(C(=O)/C(F)=C/CN(C)C)CC1C.CC(C)N1CCN(C(=O)/C=C/CN(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/CN(C)C)CC1C
InChIInChI=1S/C14H26FN3O.C14H27N3O.C13H24FN3O.C13H25N3O.2C12H22N2O.2C11H20N2O2.2C11H20N2O.C10H18N2O/c1-11(2)18-9-8-17(10-12(18)3)14(19)13(15)6-7-16(4)5;1-12(2)17-10-9-16(11-13(17)3)14(18)7-6-8-15(4)5;1-11(2)16-7-9-17(10-8-16)13(18)12(14)5-6-15(3)4;1-12(2)15-8-10-16(11-9-15)13(17)6-5-7-14(3)4;2*1-5-11(4)12(15)14-8-6-13(7-9-14)10(2)3;1-4-11(15)12-5-6-13(9(2)3)10(7-12)8-14;1-4-11(15)13-6-5-12(9(2)3)7-10(13)8-14;1-5-11(14)12-6-7-13(9(2)3)10(4)8-12;1-5-11(14)13-7-6-12(9(2)3)8-10(13)4;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h6,11-12H,7-10H2,1-5H3;6-7,12-13H,8-11H2,1-5H3;5,11H,6-10H2,1-4H3;5-6,12H,7-11H2,1-4H3;2*10H,4-9H2,1-3H3;2*4,9-10,14H,1,5-8H2,2-3H3;2*5,9-10H,1,6-8H2,2-4H3;4,9H,1,5-8H2,2-3H3/b13-6-;7-6+;12-5-;6-5+;;;;;;;
InChIKeyFHDWVQGUDGDAPC-ZAFIOIKNSA-N
MW2441.57 g/mol
LogP10.13
Rot. Bonds34

About (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

(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 (PubChem CID 158030872) has the molecular formula C132H244F2N26O13 and a molecular weight of 2441.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158030872
Molecular FormulaC132H244F2N26O13
Molecular Weight2441.57 g/mol
Exact Mass2439.92
IUPAC Name(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
SMILESC=C(CC)C(=O)N1CCN(C(C)C)CC1.C=C(CC)C(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)C(C)C1.C=CC(=O)N1CCN(C(C)C)C(CO)C1.C=CC(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)CC1C.C=CC(=O)N1CCN(C(C)C)CC1CO.CC(C)N1CCN(C(=O)/C(F)=C/CN(C)C)CC1.CC(C)N1CCN(C(=O)/C(F)=C/CN(C)C)CC1C.CC(C)N1CCN(C(=O)/C=C/CN(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/CN(C)C)CC1C
InChIInChI=1S/C14H26FN3O.C14H27N3O.C13H24FN3O.C13H25N3O.2C12H22N2O.2C11H20N2O2.2C11H20N2O.C10H18N2O/c1-11(2)18-9-8-17(10-12(18)3)14(19)13(15)6-7-16(4)5;1-12(2)17-10-9-16(11-13(17)3)14(18)7-6-8-15(4)5;1-11(2)16-7-9-17(10-8-16)13(18)12(14)5-6-15(3)4;1-12(2)15-8-10-16(11-9-15)13(17)6-5-7-14(3)4;2*1-5-11(4)12(15)14-8-6-13(7-9-14)10(2)3;1-4-11(15)12-5-6-13(9(2)3)10(7-12)8-14;1-4-11(15)13-6-5-12(9(2)3)7-10(13)8-14;1-5-11(14)12-6-7-13(9(2)3)10(4)8-12;1-5-11(14)13-7-6-12(9(2)3)8-10(13)4;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h6,11-12H,7-10H2,1-5H3;6-7,12-13H,8-11H2,1-5H3;5,11H,6-10H2,1-4H3;5-6,12H,7-11H2,1-4H3;2*10H,4-9H2,1-3H3;2*4,9-10,14H,1,5-8H2,2-3H3;2*5,9-10H,1,6-8H2,2-4H3;4,9H,1,5-8H2,2-3H3/b13-6-;7-6+;12-5-;6-5+;;;;;;;
InChIKeyFHDWVQGUDGDAPC-ZAFIOIKNSA-N
XLogP10.13
TPSA312.47 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002441.57
LogP ≤ 510.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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
(E)-5-(2-methyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)hex-2-en-1-one
CID 152978167
(Z)-4-(dimethylamino)-2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one
CID 135165387
1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-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;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one
CID 165011231
1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156531720
1-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156511039
(E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;(Z)-4-(dimethylamino)-2-fluoro-1-(3-methyl-4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-[3-[(dimethylamino)methyl]-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-(3,3-dimethyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(fluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-(3-fluoro-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(3-hydroxy-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate;1-(5-propan-2-yl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one;4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxylic acid;1-propan-2-yl-4-prop-2-enoylpiperazin-2-one
CID 160941151
1-[3-(2,2-difluoroethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 135165412
(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
4-[(Z)-5-(3-carbamoyl-4-prop-2-enoylpiperazin-1-yl)hex-2-enoyl]-1-propan-2-ylpiperazine-2-carboxylic acid
CID 135183424
(3S)-3-(hydroxymethyl)-4-propan-2-ylpiperazine-1-carboxylic acid
CID 134500157
(E)-4-(dimethylamino)-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one
CID 164740043

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(CC)C(=O)N1CCN(C(C)C)CC1.C=C(CC)C(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)C(C)C1.C=CC(=O)N1CCN(C(C)C)C(CO)C1.C=CC(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)CC1C.C=CC(=O)N1CCN(C(C)C)CC1CO.CC(C)N1CCN(C(=O)/C(F)=C/CN(C)C)CC1.CC(C)N1CCN(C(=O)/C(F)=C/CN(C)C)CC1C.CC(C)N1CCN(C(=O)/C=C/CN(C)C)CC1.CC(C)N1CCN(C(=O)/C=C/CN(C)C)CC1C.
What is the InChIKey of (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?
The InChIKey is FHDWVQGUDGDAPC-ZAFIOIKNSA-N. The full InChI is InChI=1S/C14H26FN3O.C14H27N3O.C13H24FN3O.C13H25N3O.2C12H22N2O.2C11H20N2O2.2C11H20N2O.C10H18N2O/c1-11(2)18-9-8-17(10-12(18)3)14(19)13(15)6-7-16(4)5;1-12(2)17-10-9-16(11-13(17)3)14(18)7-6-8-15(4)5;1-11(2)16-7-9-17(10-8-16)13(18)12(14)5-6-15(3)4;1-12(2)15-8-10-16(11-9-15)13(17)6-5-7-14(3)4;2*1-5-11(4)12(15)14-8-6-13(7-9-14)10(2)3;1-4-11(15)12-5-6-13(9(2)3)10(7-12)8-14;1-4-11(15)13-6-5-12(9(2)3)7-10(13)8-14;1-5-11(14)12-6-7-13(9(2)3)10(4)8-12;1-5-11(14)13-7-6-12(9(2)3)8-10(13)4;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h6,11-12H,7-10H2,1-5H3;6-7,12-13H,8-11H2,1-5H3;5,11H,6-10H2,1-4H3;5-6,12H,7-11H2,1-4H3;2*10H,4-9H2,1-3H3;2*4,9-10,14H,1,5-8H2,2-3H3;2*5,9-10H,1,6-8H2,2-4H3;4,9H,1,5-8H2,2-3H3/b13-6-;7-6+;12-5-;6-5+;;;;;;;.
What are the key properties of (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?
(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 has a molecular weight of 2441.57 g/mol, XLogP of 10.13, 34 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158030872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).