2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide

C22H26ClN3O2 — CID 42868016

IUPAC2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)C)c(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C22H26ClN3O2/c1-14(2)24-21(27)19-8-7-15(3)25-20(19)16-9-11-26(12-10-16)22(28)17-5-4-6-18(23)13-17/h4-8,13-14,16H,9-12H2,1-3H3,(H,24,27)
InChIKeyPVFRRNSKYDAPDC-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.20
Rot. Bonds4

About 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide

2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 42868016) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID42868016
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)C)c(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C22H26ClN3O2/c1-14(2)24-21(27)19-8-7-15(3)25-20(19)16-9-11-26(12-10-16)22(28)17-5-4-6-18(23)13-17/h4-8,13-14,16H,9-12H2,1-3H3,(H,24,27)
InChIKeyPVFRRNSKYDAPDC-UHFFFAOYSA-N
XLogP4.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851965
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 46069014
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 42851957
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42867125
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 46068341
[4-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46068533
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867410

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide (CID 42868016) is 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)C)c(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is PVFRRNSKYDAPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-14(2)24-21(27)19-8-7-15(3)25-20(19)16-9-11-26(12-10-16)22(28)17-5-4-6-18(23)13-17/h4-8,13-14,16H,9-12H2,1-3H3,(H,24,27).
What are the key properties of 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 42868016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).