1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C22H26ClN3O2 — CID 55930872

IUPAC1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-16-9-12-24-20(15-16)25-22(28)18-10-13-26(14-11-18)21(27)4-2-3-17-5-7-19(23)8-6-17/h5-9,12,15,18H,2-4,10-11,13-14H2,1H3,(H,24,25,28)
InChIKeyVSYRKIBPTXCKND-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.24
Rot. Bonds6

About 1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55930872) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55930872
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-16-9-12-24-20(15-16)25-22(28)18-10-13-26(14-11-18)21(27)4-2-3-17-5-7-19(23)8-6-17/h5-9,12,15,18H,2-4,10-11,13-14H2,1H3,(H,24,25,28)
InChIKeyVSYRKIBPTXCKND-UHFFFAOYSA-N
XLogP4.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide
CID 47245712
1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 60547252
1-[2-[4-(difluoromethoxy)phenyl]acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931889
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 55923776
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55992545
1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006490
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55813073
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
1-[2-(2-methylindol-1-yl)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55815306

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55930872) is 1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is VSYRKIBPTXCKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16-9-12-24-20(15-16)25-22(28)18-10-13-26(14-11-18)21(27)4-2-3-17-5-7-19(23)8-6-17/h5-9,12,15,18H,2-4,10-11,13-14H2,1H3,(H,24,25,28).
What are the key properties of 1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55930872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).