N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119283131

IUPACN-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc(NC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-8-18-15(20)12-5-3-7-14(10-12)19-16(21)13-6-4-9-17-11-13;/h3,5,7,10,13,17H,2,4,6,8-9,11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyBZJYBOXAOHZWBE-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.19
Rot. Bonds5

About N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride

N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119283131) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119283131
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc(NC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-8-18-15(20)12-5-3-7-14(10-12)19-16(21)13-6-4-9-17-11-13;/h3,5,7,10,13,17H,2,4,6,8-9,11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyBZJYBOXAOHZWBE-UHFFFAOYSA-N
XLogP2.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride 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-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119297921
ethyl 3-(piperidine-3-carbonylamino)benzoate
CID 61260625
(2S)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712064
(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712042
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067
N-(3-benzoylphenyl)piperidine-3-carboxamide
CID 119279700
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940
N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
CID 119263523
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
CID 119508589
4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119712065
N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55148926
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956

Frequently Asked Questions

What is the IUPAC name of N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119283131) is N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride is CCCNC(=O)c1cccc(NC(=O)C2CCCNC2)c1.Cl.
What is the InChIKey of N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is BZJYBOXAOHZWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-2-8-18-15(20)12-5-3-7-14(10-12)19-16(21)13-6-4-9-17-11-13;/h3,5,7,10,13,17H,2,4,6,8-9,11H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119283131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).