N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119299602

IUPACN-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12-4-6-13(7-5-12)15(20)18-9-10-19-16(21)14-3-2-8-17-11-14;/h4-7,14,17H,2-3,8-11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyFSSXDHGPGDVABK-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.26
Rot. Bonds5

About N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride

N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119299602) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119299602
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12-4-6-13(7-5-12)15(20)18-9-10-19-16(21)14-3-2-8-17-11-14;/h4-7,14,17H,2-3,8-11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyFSSXDHGPGDVABK-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(4-methylbenzoyl)amino]ethyl]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-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588
N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119297921
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 63714328
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119303511
N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide
CID 83111640

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride (CID 119299602) is N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride is Cc1ccc(C(=O)NCCNC(=O)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is FSSXDHGPGDVABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-12-4-6-13(7-5-12)15(20)18-9-10-19-16(21)14-3-2-8-17-11-14;/h4-7,14,17H,2-3,8-11H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride?
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119299602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).