N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride

C18H29ClN2O — CID 119323124

IUPACN-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccccc1C(CC(C)C)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)12-17(16-7-5-4-6-14(16)3)20-18(21)15-8-10-19-11-9-15;/h4-7,13,15,17,19H,8-12H2,1-3H3,(H,20,21);1H
InChIKeyKJNZDUGMFBXNJH-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.62
Rot. Bonds5

About N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride

N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119323124) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119323124
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccccc1C(CC(C)C)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)12-17(16-7-5-4-6-14(16)3)20-18(21)15-8-10-19-11-9-15;/h4-7,13,15,17,19H,8-12H2,1-3H3,(H,20,21);1H
InChIKeyKJNZDUGMFBXNJH-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-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-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride
CID 119323136
N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide
CID 119342940
2-[[3-methyl-1-(2-methylphenyl)butyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119184887
N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 119327095
N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119782809
1-[[3-methyl-1-(2-methylphenyl)butyl]carbamoyl]piperidine-4-carboxylic acid
CID 122001930
N-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 129393193
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
CID 119323120
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759
2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793021
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride (CID 119323124) is N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride is Cc1ccccc1C(CC(C)C)NC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is KJNZDUGMFBXNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13(2)12-17(16-7-5-4-6-14(16)3)20-18(21)15-8-10-19-11-9-15;/h4-7,13,15,17,19H,8-12H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride?
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119323124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).