N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C21H27N3O — CID 134803038

IUPACN-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(Cc2ccccc2-c2cccnc2)CC1
InChIInChI=1S/C21H27N3O/c1-16(2)23-21(25)17-9-12-24(13-10-17)15-19-6-3-4-8-20(19)18-7-5-11-22-14-18/h3-8,11,14,16-17H,9-10,12-13,15H2,1-2H3,(H,23,25)
InChIKeyYIMVLBADJRLCMZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.49
Rot. Bonds5

About N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 134803038) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID134803038
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(Cc2ccccc2-c2cccnc2)CC1
InChIInChI=1S/C21H27N3O/c1-16(2)23-21(25)17-9-12-24(13-10-17)15-19-6-3-4-8-20(19)18-7-5-11-22-14-18/h3-8,11,14,16-17H,9-10,12-13,15H2,1-2H3,(H,23,25)
InChIKeyYIMVLBADJRLCMZ-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134801404
N-[(2-fluorophenyl)methyl]-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134802499
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
(4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134800699
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805544
N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 134799756
N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 795617
N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide
CID 134802336
N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 4614545
1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231879

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 134803038) is N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)NC(=O)C1CCN(Cc2ccccc2-c2cccnc2)CC1.
What is the InChIKey of N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YIMVLBADJRLCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16(2)23-21(25)17-9-12-24(13-10-17)15-19-6-3-4-8-20(19)18-7-5-11-22-14-18/h3-8,11,14,16-17H,9-10,12-13,15H2,1-2H3,(H,23,25).
What are the key properties of N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 134803038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).