1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide

C19H23N3O — CID 27234910

IUPAC1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESCc1cccc(CN2CCC(C(=O)Nc3cccnc3)CC2)c1
InChIInChI=1S/C19H23N3O/c1-15-4-2-5-16(12-15)14-22-10-7-17(8-11-22)19(23)21-18-6-3-9-20-13-18/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,21,23)
InChIKeyWPDXUMPCVPBGRS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.24
Rot. Bonds4

About 1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide

1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 27234910) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
PubChem CID27234910
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESCc1cccc(CN2CCC(C(=O)Nc3cccnc3)CC2)c1
InChIInChI=1S/C19H23N3O/c1-15-4-2-5-16(12-15)14-22-10-7-17(8-11-22)19(23)21-18-6-3-9-20-13-18/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,21,23)
InChIKeyWPDXUMPCVPBGRS-UHFFFAOYSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide (CID 27234910) is 1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide is Cc1cccc(CN2CCC(C(=O)Nc3cccnc3)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide?
The InChIKey is WPDXUMPCVPBGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-4-2-5-16(12-15)14-22-10-7-17(8-11-22)19(23)21-18-6-3-9-20-13-18/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,21,23).
What are the key properties of 1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide?
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 27234910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).