N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide

C17H23N3O — CID 60945973

IUPACN-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1CCCNC1
InChIInChI=1S/C17H23N3O/c1-2-10-20(17(21)16-4-3-9-19-12-16)13-15-7-5-14(11-18)6-8-15/h5-8,16,19H,2-4,9-10,12-13H2,1H3
InChIKeyBTQLGSBONSGPAL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.30
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide

N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide (PubChem CID 60945973) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
PubChem CID60945973
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1CCCNC1
InChIInChI=1S/C17H23N3O/c1-2-10-20(17(21)16-4-3-9-19-12-16)13-15-7-5-14(11-18)6-8-15/h5-8,16,19H,2-4,9-10,12-13H2,1H3
InChIKeyBTQLGSBONSGPAL-UHFFFAOYSA-N
XLogP2.30
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-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

(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 68635251
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 54873767
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide
CID 79209292
N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 55594937
N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide
CID 119688890
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide (CID 60945973) is N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide is CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCCNC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is BTQLGSBONSGPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-10-20(17(21)16-4-3-9-19-12-16)13-15-7-5-14(11-18)6-8-15/h5-8,16,19H,2-4,9-10,12-13H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 60945973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).