2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide

C26H27N3O2 — CID 117092468

IUPAC2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccn2)c1
InChIInChI=1S/C26H27N3O2/c1-19(30)21-8-5-9-22(16-21)25-17-23(10-13-27-25)26(31)28-24-11-14-29(15-12-24)18-20-6-3-2-4-7-20/h2-10,13,16-17,24H,11-12,14-15,18H2,1H3,(H,28,31)
InChIKeyVOJPIAAEAHOAMU-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.35
Rot. Bonds6

About 2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide

2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 117092468) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID117092468
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccn2)c1
InChIInChI=1S/C26H27N3O2/c1-19(30)21-8-5-9-22(16-21)25-17-23(10-13-27-25)26(31)28-24-11-14-29(15-12-24)18-20-6-3-2-4-7-20/h2-10,13,16-17,24H,11-12,14-15,18H2,1H3,(H,28,31)
InChIKeyVOJPIAAEAHOAMU-UHFFFAOYSA-N
XLogP4.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
CID 117082777
2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid
CID 155910539
N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 121497473
3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 119058818
N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide
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N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate
CID 142738884
5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 24817207
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815641
N-(1-benzylpiperidin-4-yl)-3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 50783567

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide (CID 117092468) is 2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide is CC(=O)c1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccn2)c1.
What is the InChIKey of 2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is VOJPIAAEAHOAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19(30)21-8-5-9-22(16-21)25-17-23(10-13-27-25)26(31)28-24-11-14-29(15-12-24)18-20-6-3-2-4-7-20/h2-10,13,16-17,24H,11-12,14-15,18H2,1H3,(H,28,31).
What are the key properties of 2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide?
2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 117092468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).