6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one

C80H80BrF7N10O6 — CID 160524362

IUPAC6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one
SMILESCOc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(=O)NCCCc4ccccc4)cn3)CC2)c1.O=C(CCc1ccccc1)Cc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1.O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(CCCc3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C27H29BrN4O3.C27H26F3N3O2.C26H25F4N3O/c1-35-22-10-11-24(28)23(18-22)27(34)32-16-14-31(15-17-32)25-12-9-21(19-30-25)26(33)29-13-5-8-20-6-3-2-4-7-20;28-27(29,30)24-9-5-4-8-23(24)26(35)33-16-14-32(15-17-33)25-13-11-21(19-31-25)18-22(34)12-10-20-6-2-1-3-7-20;27-20-10-8-19(9-11-20)4-3-5-21-12-13-22(18-31-21)32-14-16-33(17-15-32)25(34)23-6-1-2-7-24(23)26(28,29)30/h2-4,6-7,9-12,18-19H,5,8,13-17H2,1H3,(H,29,33);1-9,11,13,19H,10,12,14-18H2;1-2,6-13,18H,3-5,14-17H2
InChIKeyQURTWKDVPAUUIP-UHFFFAOYSA-N
MW1490.47 g/mol
LogP14.36
Rot. Bonds21

About 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one

6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one (PubChem CID 160524362) has the molecular formula C80H80BrF7N10O6 and a molecular weight of 1490.47 g/mol. Its IUPAC name is 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one.

Molecular Properties

Compound Name6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one
PubChem CID160524362
Molecular FormulaC80H80BrF7N10O6
Molecular Weight1490.47 g/mol
Exact Mass1488.53
IUPAC Name6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one
SMILESCOc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(=O)NCCCc4ccccc4)cn3)CC2)c1.O=C(CCc1ccccc1)Cc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1.O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(CCCc3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C27H29BrN4O3.C27H26F3N3O2.C26H25F4N3O/c1-35-22-10-11-24(28)23(18-22)27(34)32-16-14-31(15-17-32)25-12-9-21(19-30-25)26(33)29-13-5-8-20-6-3-2-4-7-20;28-27(29,30)24-9-5-4-8-23(24)26(35)33-16-14-32(15-17-33)25-13-11-21(19-31-25)18-22(34)12-10-20-6-2-1-3-7-20;27-20-10-8-19(9-11-20)4-3-5-21-12-13-22(18-31-21)32-14-16-33(17-15-32)25(34)23-6-1-2-7-24(23)26(28,29)30/h2-4,6-7,9-12,18-19H,5,8,13-17H2,1H3,(H,29,33);1-9,11,13,19H,10,12,14-18H2;1-2,6-13,18H,3-5,14-17H2
InChIKeyQURTWKDVPAUUIP-UHFFFAOYSA-N
XLogP14.36
TPSA164.72 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001490.47
LogP ≤ 514.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one with MolForge

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Related Compounds

6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 25191211
3-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide;4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
CID 157277456
1-[6-[4-(2-Bromo-5-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-5-phenylpentan-1-one;4-cyclopropyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]butan-1-one
CID 158967494
6-(butylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-(propylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 159709943
6-(3-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpiperidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpiperidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-methylpiperidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 160651800
6-[(3R)-3-aminopiperidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypiperidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypiperidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxypiperidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypiperidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 161998325
N-[5-[2-ethyl-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-[[3-fluoro-5-[[4-methyl-5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-4-pyridinyl]methyl]-4-methylpyridine-3-carboxamide
CID 148229093
6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 68737226
6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 68738119
6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(5-phenylpentyl)pyridine-3-carboxamide
CID 68741127
6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;methane
CID 157450815
2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 158028769

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one?
The IUPAC name of 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one (CID 160524362) is 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one.
What is the SMILES notation for 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one?
The canonical SMILES for 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one is COc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(=O)NCCCc4ccccc4)cn3)CC2)c1.O=C(CCc1ccccc1)Cc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1.O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(CCCc3ccc(F)cc3)nc2)CC1.
What is the InChIKey of 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one?
The InChIKey is QURTWKDVPAUUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29BrN4O3.C27H26F3N3O2.C26H25F4N3O/c1-35-22-10-11-24(28)23(18-22)27(34)32-16-14-31(15-17-32)25-12-9-21(19-30-25)26(33)29-13-5-8-20-6-3-2-4-7-20;28-27(29,30)24-9-5-4-8-23(24)26(35)33-16-14-32(15-17-33)25-13-11-21(19-31-25)18-22(34)12-10-20-6-2-1-3-7-20;27-20-10-8-19(9-11-20)4-3-5-21-12-13-22(18-31-21)32-14-16-33(17-15-32)25(34)23-6-1-2-7-24(23)26(28,29)30/h2-4,6-7,9-12,18-19H,5,8,13-17H2,1H3,(H,29,33);1-9,11,13,19H,10,12,14-18H2;1-2,6-13,18H,3-5,14-17H2.
What are the key properties of 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one?
6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one has a molecular weight of 1490.47 g/mol, XLogP of 14.36, 21 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one is sourced from PubChem (CID 160524362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).