N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride

C17H27ClN2O — CID 119321028

IUPACN-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)C2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-6-7-15(13(2)9-12)10-14(3)19-17(20)16-5-4-8-18-11-16;/h6-7,9,14,16,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H
InChIKeyOCRKQZYILZZLGP-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride

N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119321028) 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-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119321028
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)C2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-6-7-15(13(2)9-12)10-14(3)19-17(20)16-5-4-8-18-11-16;/h6-7,9,14,16,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H
InChIKeyOCRKQZYILZZLGP-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,4-dimethylphenyl)propan-2-yl]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-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119321004
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014569
3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82294914
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
N-(1-thiophen-3-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954195
N-[1-(2-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119814306
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride (CID 119321028) is N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride is Cc1ccc(CC(C)NC(=O)C2CCCNC2)c(C)c1.Cl.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is OCRKQZYILZZLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12-6-7-15(13(2)9-12)10-14(3)19-17(20)16-5-4-8-18-11-16;/h6-7,9,14,16,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride?
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.77, 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-3-carboxamide;hydrochloride is sourced from PubChem (CID 119321028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).