1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C20H23N3O2 — CID 113004430

IUPAC1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)c1
InChIInChI=1S/C20H23N3O2/c1-15-5-4-6-17(13-15)20(25)23-11-8-16(9-12-23)19(24)22-14-18-7-2-3-10-21-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,22,24)
InChIKeyLOOYACLGANWLPG-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.56
Rot. Bonds4

About 1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 113004430) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID113004430
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)c1
InChIInChI=1S/C20H23N3O2/c1-15-5-4-6-17(13-15)20(25)23-11-8-16(9-12-23)19(24)22-14-18-7-2-3-10-21-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,22,24)
InChIKeyLOOYACLGANWLPG-UHFFFAOYSA-N
XLogP2.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3472038
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004473
(3S)-4,8-bis(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137595
1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973351
1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004432
1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 70725617
N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 71842151
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109053648
N-(pyridin-2-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27554188
N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 113004430) is 1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is Cc1cccc(C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)c1.
What is the InChIKey of 1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LOOYACLGANWLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-5-4-6-17(13-15)20(25)23-11-8-16(9-12-23)19(24)22-14-18-7-2-3-10-21-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,22,24).
What are the key properties of 1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).