2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide

C27H28BrN3O2 — CID 42867125

IUPAC2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2)c(C2CCN(C(=O)c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C27H28BrN3O2/c1-18-8-13-24(26(32)30-19(2)20-6-4-3-5-7-20)25(29-18)21-14-16-31(17-15-21)27(33)22-9-11-23(28)12-10-22/h3-13,19,21H,14-17H2,1-2H3,(H,30,32)
InChIKeyZPFSTLXBLXAYGY-UHFFFAOYSA-N
MW506.44 g/mol
LogP5.66
Rot. Bonds5

About 2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide

2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 42867125) has the molecular formula C27H28BrN3O2 and a molecular weight of 506.44 g/mol. Its IUPAC name is 2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID42867125
Molecular FormulaC27H28BrN3O2
Molecular Weight506.44 g/mol
Exact Mass505.14
IUPAC Name2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2)c(C2CCN(C(=O)c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C27H28BrN3O2/c1-18-8-13-24(26(32)30-19(2)20-6-4-3-5-7-20)25(29-18)21-14-16-31(17-15-21)27(33)22-9-11-23(28)12-10-22/h3-13,19,21H,14-17H2,1-2H3,(H,30,32)
InChIKeyZPFSTLXBLXAYGY-UHFFFAOYSA-N
XLogP5.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.44
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42868185
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851965
2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42868186
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 42851957
N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42868039
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide (CID 42867125) is 2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)c2ccccc2)c(C2CCN(C(=O)c3ccc(Br)cc3)CC2)n1.
What is the InChIKey of 2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is ZPFSTLXBLXAYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28BrN3O2/c1-18-8-13-24(26(32)30-19(2)20-6-4-3-5-7-20)25(29-18)21-14-16-31(17-15-21)27(33)22-9-11-23(28)12-10-22/h3-13,19,21H,14-17H2,1-2H3,(H,30,32).
What are the key properties of 2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide?
2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 506.44 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42867125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).