6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide

C22H27N3O2 — CID 109093691

IUPAC6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H27N3O2/c1-16(2)23-21(26)19-9-6-10-20(24-19)22(27)25-13-11-18(12-14-25)15-17-7-4-3-5-8-17/h3-10,16,18H,11-15H2,1-2H3,(H,23,26)
InChIKeyVPJFNQYDJKBZGJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.31
Rot. Bonds5

About 6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide

6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109093691) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109093691
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H27N3O2/c1-16(2)23-21(26)19-9-6-10-20(24-19)22(27)25-13-11-18(12-14-25)15-17-7-4-3-5-8-17/h3-10,16,18H,11-15H2,1-2H3,(H,23,26)
InChIKeyVPJFNQYDJKBZGJ-UHFFFAOYSA-N
XLogP3.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093636
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051316
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541158
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109302082

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide (CID 109093691) is 6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is VPJFNQYDJKBZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(2)23-21(26)19-9-6-10-20(24-19)22(27)25-13-11-18(12-14-25)15-17-7-4-3-5-8-17/h3-10,16,18H,11-15H2,1-2H3,(H,23,26).
What are the key properties of 6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide?
6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109093691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).