(E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid

C156H270F3N29O22 — CID 159621199

IUPAC(E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid
SMILESC=C(CCC)C(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)C(C(=O)O)C1.C=CC(=O)N1CCN(C(C)C)C(C(=O)OC)C1.C=CC(=O)N1CCN(C(C)C)C(C(F)F)C1.C=CC(=O)N1CCN(C(C)C)C(C)(C)C1.C=CC(=O)N1CCN(C(C)C)C(CC(=O)O)C1.C=CC(=O)N1CCN(C(C)C)C(CC)C1.C=CC(=O)N1CCN(C(C)C)C(CCO)C1.C=CC(=O)N1CCN(C(C)C)C(CF)C1.C=CC(=O)N1CCN(C(C)C)C(CN(C)C)C1.C=CC(=O)N1CCN(C(C)C)C2(COC2)C1.C=CC(=O)N1CCN(C(C)C)CC1C(N)=O.[C-]#[N+]/C(=C/C1CC1)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C14H21N3O.C13H25N3O.C13H24N2O.2C12H20N2O3.C12H20N2O2.C12H22N2O2.2C12H22N2O.C11H18F2N2O.C11H19FN2O.C11H19N3O2.C11H18N2O3/c1-11(2)16-6-8-17(9-7-16)14(18)13(15-3)10-12-4-5-12;1-6-13(17)15-7-8-16(11(2)3)12(10-15)9-14(4)5;1-5-6-12(4)13(16)15-9-7-14(8-10-15)11(2)3;1-5-11(15)13-6-7-14(9(2)3)10(8-13)12(16)17-4;1-4-11(15)13-5-6-14(9(2)3)10(8-13)7-12(16)17;1-4-11(15)13-5-6-14(10(2)3)12(7-13)8-16-9-12;1-4-12(16)13-6-7-14(10(2)3)11(9-13)5-8-15;1-6-11(15)13-7-8-14(10(2)3)12(4,5)9-13;1-5-11-9-13(12(15)6-2)7-8-14(11)10(3)4;1-4-10(16)14-5-6-15(8(2)3)9(7-14)11(12)13;1-4-11(15)13-5-6-14(9(2)3)10(7-12)8-13;1-4-10(15)14-6-5-13(8(2)3)7-9(14)11(12)16;1-4-10(14)12-5-6-13(8(2)3)9(7-12)11(15)16/h10-12H,4-9H2,1-2H3;6,11-12H,1,7-10H2,2-5H3;11H,4-10H2,1-3H3;5,9-10H,1,6-8H2,2-4H3;4,9-10H,1,5-8H2,2-3H3,(H,16,17);4,10H,1,5-9H2,2-3H3;4,10-11,15H,1,5-9H2,2-3H3;6,10H,1,7-9H2,2-5H3;6,10-11H,2,5,7-9H2,1,3-4H3;4,8-9,11H,1,5-7H2,2-3H3;4,9-10H,1,5-8H2,2-3H3;4,8-9H,1,5-7H2,2-3H3,(H2,12,16);4,8-9H,1,5-7H2,2-3H3,(H,15,16)/b13-10+;;;;;;;;;;;;
InChIKeyMNXHMJMLHWEVLK-GQOYCHQGSA-N
MW2961.05 g/mol
LogP11.29
Rot. Bonds41

About (E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid

(E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid (PubChem CID 159621199) has the molecular formula C156H270F3N29O22 and a molecular weight of 2961.05 g/mol. Its IUPAC name is (E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name(E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid
PubChem CID159621199
Molecular FormulaC156H270F3N29O22
Molecular Weight2961.05 g/mol
Exact Mass2959.09
IUPAC Name(E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid
SMILESC=C(CCC)C(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)C(C(=O)O)C1.C=CC(=O)N1CCN(C(C)C)C(C(=O)OC)C1.C=CC(=O)N1CCN(C(C)C)C(C(F)F)C1.C=CC(=O)N1CCN(C(C)C)C(C)(C)C1.C=CC(=O)N1CCN(C(C)C)C(CC(=O)O)C1.C=CC(=O)N1CCN(C(C)C)C(CC)C1.C=CC(=O)N1CCN(C(C)C)C(CCO)C1.C=CC(=O)N1CCN(C(C)C)C(CF)C1.C=CC(=O)N1CCN(C(C)C)C(CN(C)C)C1.C=CC(=O)N1CCN(C(C)C)C2(COC2)C1.C=CC(=O)N1CCN(C(C)C)CC1C(N)=O.[C-]#[N+]/C(=C/C1CC1)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C14H21N3O.C13H25N3O.C13H24N2O.2C12H20N2O3.C12H20N2O2.C12H22N2O2.2C12H22N2O.C11H18F2N2O.C11H19FN2O.C11H19N3O2.C11H18N2O3/c1-11(2)16-6-8-17(9-7-16)14(18)13(15-3)10-12-4-5-12;1-6-13(17)15-7-8-16(11(2)3)12(10-15)9-14(4)5;1-5-6-12(4)13(16)15-9-7-14(8-10-15)11(2)3;1-5-11(15)13-6-7-14(9(2)3)10(8-13)12(16)17-4;1-4-11(15)13-5-6-14(9(2)3)10(8-13)7-12(16)17;1-4-11(15)13-5-6-14(10(2)3)12(7-13)8-16-9-12;1-4-12(16)13-6-7-14(10(2)3)11(9-13)5-8-15;1-6-11(15)13-7-8-14(10(2)3)12(4,5)9-13;1-5-11-9-13(12(15)6-2)7-8-14(11)10(3)4;1-4-10(16)14-5-6-15(8(2)3)9(7-14)11(12)13;1-4-11(15)13-5-6-14(9(2)3)10(7-12)8-13;1-4-10(15)14-6-5-13(8(2)3)7-9(14)11(12)16;1-4-10(14)12-5-6-13(8(2)3)9(7-12)11(15)16/h10-12H,4-9H2,1-2H3;6,11-12H,1,7-10H2,2-5H3;11H,4-10H2,1-3H3;5,9-10H,1,6-8H2,2-4H3;4,9-10H,1,5-8H2,2-3H3,(H,16,17);4,10H,1,5-9H2,2-3H3;4,10-11,15H,1,5-9H2,2-3H3;6,10H,1,7-9H2,2-5H3;6,10-11H,2,5,7-9H2,1,3-4H3;4,8-9,11H,1,5-7H2,2-3H3;4,9-10H,1,5-8H2,2-3H3;4,8-9H,1,5-7H2,2-3H3,(H2,12,16);4,8-9H,1,5-7H2,2-3H3,(H,15,16)/b13-10+;;;;;;;;;;;;
InChIKeyMNXHMJMLHWEVLK-GQOYCHQGSA-N
XLogP11.29
TPSA487.20 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds41
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002961.05
LogP ≤ 511.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid?
The IUPAC name of (E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid (CID 159621199) is (E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid.
What is the SMILES notation for (E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid?
The canonical SMILES for (E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid is C=C(CCC)C(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)C(C(=O)O)C1.C=CC(=O)N1CCN(C(C)C)C(C(=O)OC)C1.C=CC(=O)N1CCN(C(C)C)C(C(F)F)C1.C=CC(=O)N1CCN(C(C)C)C(C)(C)C1.C=CC(=O)N1CCN(C(C)C)C(CC(=O)O)C1.C=CC(=O)N1CCN(C(C)C)C(CC)C1.C=CC(=O)N1CCN(C(C)C)C(CCO)C1.C=CC(=O)N1CCN(C(C)C)C(CF)C1.C=CC(=O)N1CCN(C(C)C)C(CN(C)C)C1.C=CC(=O)N1CCN(C(C)C)C2(COC2)C1.C=CC(=O)N1CCN(C(C)C)CC1C(N)=O.[C-]#[N+]/C(=C/C1CC1)C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of (E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid?
The InChIKey is MNXHMJMLHWEVLK-GQOYCHQGSA-N. The full InChI is InChI=1S/C14H21N3O.C13H25N3O.C13H24N2O.2C12H20N2O3.C12H20N2O2.C12H22N2O2.2C12H22N2O.C11H18F2N2O.C11H19FN2O.C11H19N3O2.C11H18N2O3/c1-11(2)16-6-8-17(9-7-16)14(18)13(15-3)10-12-4-5-12;1-6-13(17)15-7-8-16(11(2)3)12(10-15)9-14(4)5;1-5-6-12(4)13(16)15-9-7-14(8-10-15)11(2)3;1-5-11(15)13-6-7-14(9(2)3)10(8-13)12(16)17-4;1-4-11(15)13-5-6-14(9(2)3)10(8-13)7-12(16)17;1-4-11(15)13-5-6-14(10(2)3)12(7-13)8-16-9-12;1-4-12(16)13-6-7-14(10(2)3)11(9-13)5-8-15;1-6-11(15)13-7-8-14(10(2)3)12(4,5)9-13;1-5-11-9-13(12(15)6-2)7-8-14(11)10(3)4;1-4-10(16)14-5-6-15(8(2)3)9(7-14)11(12)13;1-4-11(15)13-5-6-14(9(2)3)10(7-12)8-13;1-4-10(15)14-6-5-13(8(2)3)7-9(14)11(12)16;1-4-10(14)12-5-6-13(8(2)3)9(7-12)11(15)16/h10-12H,4-9H2,1-2H3;6,11-12H,1,7-10H2,2-5H3;11H,4-10H2,1-3H3;5,9-10H,1,6-8H2,2-4H3;4,9-10H,1,5-8H2,2-3H3,(H,16,17);4,10H,1,5-9H2,2-3H3;4,10-11,15H,1,5-9H2,2-3H3;6,10H,1,7-9H2,2-5H3;6,10-11H,2,5,7-9H2,1,3-4H3;4,8-9,11H,1,5-7H2,2-3H3;4,9-10H,1,5-8H2,2-3H3;4,8-9H,1,5-7H2,2-3H3,(H2,12,16);4,8-9H,1,5-7H2,2-3H3,(H,15,16)/b13-10+;;;;;;;;;;;;.
What are the key properties of (E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid?
(E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid has a molecular weight of 2961.05 g/mol, XLogP of 11.29, 41 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropyl-2-isocyano-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-[3-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-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-ethyl-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-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)pentan-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-carboxamide;1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid;2-(1-propan-2-yl-4-prop-2-enoylpiperazin-2-yl)acetic acid is sourced from PubChem (CID 159621199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).