N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119281759

IUPACN-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(2)15(20)18-12-6-5-7-13(10-12)19-16(21)14-8-3-4-9-17-14;/h5-7,10-11,14,17H,3-4,8-9H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyFODROIJSGYBABS-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.78
Rot. Bonds4

About N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride

N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119281759) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119281759
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(2)15(20)18-12-6-5-7-13(10-12)19-16(21)14-8-3-4-9-17-14;/h5-7,10-11,14,17H,3-4,8-9H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyFODROIJSGYBABS-UHFFFAOYSA-N
XLogP2.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-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-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride
CID 119883129
N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262082
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281758
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103809348
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119281759) is N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride is CC(C)C(=O)Nc1cccc(NC(=O)C2CCCCN2)c1.Cl.
What is the InChIKey of N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is FODROIJSGYBABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11(2)15(20)18-12-6-5-7-13(10-12)19-16(21)14-8-3-4-9-17-14;/h5-7,10-11,14,17H,3-4,8-9H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride?
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119281759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).