1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide

C29H30ClN3O4 — CID 171681849

IUPAC1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccnc(C(=O)N2CCC(c3ccc(NC(=O)C4(c5cccc(Cl)c5)CC4)cc3)CC2)c1OC
InChIInChI=1S/C29H30ClN3O4/c1-36-24-10-15-31-25(26(24)37-2)27(34)33-16-11-20(12-17-33)19-6-8-23(9-7-19)32-28(35)29(13-14-29)21-4-3-5-22(30)18-21/h3-10,15,18,20H,11-14,16-17H2,1-2H3,(H,32,35)
InChIKeyXMYPCOISUNVICS-UHFFFAOYSA-N
MW520.03 g/mol
LogP5.44
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 171681849) has the molecular formula C29H30ClN3O4 and a molecular weight of 520.03 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID171681849
Molecular FormulaC29H30ClN3O4
Molecular Weight520.03 g/mol
Exact Mass519.19
IUPAC Name1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccnc(C(=O)N2CCC(c3ccc(NC(=O)C4(c5cccc(Cl)c5)CC4)cc3)CC2)c1OC
InChIInChI=1S/C29H30ClN3O4/c1-36-24-10-15-31-25(26(24)37-2)27(34)33-16-11-20(12-17-33)19-6-8-23(9-7-19)32-28(35)29(13-14-29)21-4-3-5-22(30)18-21/h3-10,15,18,20H,11-14,16-17H2,1-2H3,(H,32,35)
InChIKeyXMYPCOISUNVICS-UHFFFAOYSA-N
XLogP5.44
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.03
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114
(Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 171698797
2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171681053
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726
1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide
CID 171682938
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 37049250
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide (CID 171681849) is 1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide is COc1ccnc(C(=O)N2CCC(c3ccc(NC(=O)C4(c5cccc(Cl)c5)CC4)cc3)CC2)c1OC.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is XMYPCOISUNVICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O4/c1-36-24-10-15-31-25(26(24)37-2)27(34)33-16-11-20(12-17-33)19-6-8-23(9-7-19)32-28(35)29(13-14-29)21-4-3-5-22(30)18-21/h3-10,15,18,20H,11-14,16-17H2,1-2H3,(H,32,35).
What are the key properties of 1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 520.03 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171681849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).