N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride

C17H27ClN2O — CID 119321004

IUPACN-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)C2CCCCN2)c(C)c1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-7-8-15(13(2)10-12)11-14(3)19-17(20)16-6-4-5-9-18-16;/h7-8,10,14,16,18H,4-6,9,11H2,1-3H3,(H,19,20);1H
InChIKeyRIXRDSCPBLDNKL-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.91
Rot. Bonds4

About N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride

N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119321004) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
PubChem CID119321004
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)C2CCCCN2)c(C)c1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-7-8-15(13(2)10-12)11-14(3)19-17(20)16-6-4-5-9-18-16;/h7-8,10,14,16,18H,4-6,9,11H2,1-3H3,(H,19,20);1H
InChIKeyRIXRDSCPBLDNKL-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,4-dimethylphenyl)propan-2-yl]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-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119321028
(2R)-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 103808925
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014569
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119341127
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
(2R)-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 103809635
N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 60927015
(2R)-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 103808999
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride (CID 119321004) is N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride is Cc1ccc(CC(C)NC(=O)C2CCCCN2)c(C)c1.Cl.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is RIXRDSCPBLDNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12-7-8-15(13(2)10-12)11-14(3)19-17(20)16-6-4-5-9-18-16;/h7-8,10,14,16,18H,4-6,9,11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride?
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119321004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).