N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide

C27H28FN3O2 — CID 42852096

IUPACN-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2)c(C2CCN(C(=O)c3cccc(F)c3)CC2)n1
InChIInChI=1S/C27H28FN3O2/c1-19-11-12-24(27(33)30(2)18-20-7-4-3-5-8-20)25(29-19)21-13-15-31(16-14-21)26(32)22-9-6-10-23(28)17-22/h3-12,17,21H,13-16,18H2,1-2H3
InChIKeyBZVXWURGBZJWLY-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.82
Rot. Bonds5

About N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide

N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 42852096) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
PubChem CID42852096
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC NameN-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2)c(C2CCN(C(=O)c3cccc(F)c3)CC2)n1
InChIInChI=1S/C27H28FN3O2/c1-19-11-12-24(27(33)30(2)18-20-7-4-3-5-8-20)25(29-19)21-13-15-31(16-14-21)26(32)22-9-6-10-23(28)17-22/h3-12,17,21H,13-16,18H2,1-2H3
InChIKeyBZVXWURGBZJWLY-UHFFFAOYSA-N
XLogP4.82
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852094
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 46068380
2-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069044
N-[(4-fluorophenyl)methyl]-2-[1-(3-methoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852023
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068506
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42868055

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide (CID 42852096) is N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)Cc2ccccc2)c(C2CCN(C(=O)c3cccc(F)c3)CC2)n1.
What is the InChIKey of N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is BZVXWURGBZJWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-19-11-12-24(27(33)30(2)18-20-7-4-3-5-8-20)25(29-19)21-13-15-31(16-14-21)26(32)22-9-6-10-23(28)17-22/h3-12,17,21H,13-16,18H2,1-2H3.
What are the key properties of N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 42852096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).