4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

C20H25N3O — CID 145107639

IUPAC4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(NC(=O)C2(C)CCNCC2)c2ccccn2)cc1
InChIInChI=1S/C20H25N3O/c1-15-6-8-16(9-7-15)18(17-5-3-4-12-22-17)23-19(24)20(2)10-13-21-14-11-20/h3-9,12,18,21H,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyGHWHEYHGAYTQPQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.99
Rot. Bonds4

About 4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 145107639) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
PubChem CID145107639
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(NC(=O)C2(C)CCNCC2)c2ccccn2)cc1
InChIInChI=1S/C20H25N3O/c1-15-6-8-16(9-7-15)18(17-5-3-4-12-22-17)23-19(24)20(2)10-13-21-14-11-20/h3-9,12,18,21H,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyGHWHEYHGAYTQPQ-UHFFFAOYSA-N
XLogP2.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromoethoxybenzene;N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide;N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide
CID 160883805
(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide
CID 125140399
4-[[(4-methylphenyl)-pyridin-2-ylmethyl]carbamoylamino]butanoic acid
CID 122012499
(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
CID 125140349
(2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
CID 125140347
N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide
CID 126799110
1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 121413050
1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 121413049
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide
CID 63122554
3-methyl-1-[[2-(4-methylphenyl)-1-pyridin-2-ylethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122002520
N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 125139659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (CID 145107639) is 4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is Cc1ccc(C(NC(=O)C2(C)CCNCC2)c2ccccn2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The InChIKey is GHWHEYHGAYTQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-6-8-16(9-7-15)18(17-5-3-4-12-22-17)23-19(24)20(2)10-13-21-14-11-20/h3-9,12,18,21H,10-11,13-14H2,1-2H3,(H,23,24).
What are the key properties of 4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 145107639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).