N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

C21H25N3O2 — CID 36982143

IUPACN-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(23-13-4-8-17-6-2-1-3-7-17)18-10-14-24(15-11-18)21(26)19-9-5-12-22-16-19/h1-3,5-7,9,12,16,18H,4,8,10-11,13-15H2,(H,23,25)
InChIKeyWPFJIVSFJHIBKJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.68
Rot. Bonds6

About N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 36982143) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID36982143
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(23-13-4-8-17-6-2-1-3-7-17)18-10-14-24(15-11-18)21(26)19-9-5-12-22-16-19/h1-3,5-7,9,12,16,18H,4,8,10-11,13-15H2,(H,23,25)
InChIKeyWPFJIVSFJHIBKJ-UHFFFAOYSA-N
XLogP2.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)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

N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
1-benzoyl-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)piperidine-4-carboxamide
CID 110309713
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 90521151

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (CID 36982143) is N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is O=C(NCCCc1ccccc1)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is WPFJIVSFJHIBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(23-13-4-8-17-6-2-1-3-7-17)18-10-14-24(15-11-18)21(26)19-9-5-12-22-16-19/h1-3,5-7,9,12,16,18H,4,8,10-11,13-15H2,(H,23,25).
What are the key properties of N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 36982143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).