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

C20H23N3O2 — CID 796244

IUPAC1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-4-6-18(7-5-15)20(25)23-11-8-17(9-12-23)19(24)22-14-16-3-2-10-21-13-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,22,24)
InChIKeyROGZURLMGXEMJR-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.56
Rot. Bonds4

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

1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 796244) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID796244
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-4-6-18(7-5-15)20(25)23-11-8-17(9-12-23)19(24)22-14-16-3-2-10-21-13-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,22,24)
InChIKeyROGZURLMGXEMJR-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-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3245670
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55930537
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 796244) is 1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ROGZURLMGXEMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-4-6-18(7-5-15)20(25)23-11-8-17(9-12-23)19(24)22-14-16-3-2-10-21-13-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,22,24).
What are the key properties of 1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(4-methylbenzoyl)-N-(pyridin-3-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-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 796244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).