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

C16H24ClN3O2 — CID 119299588

IUPACN-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12-2-4-13(5-3-12)15(20)18-10-11-19-16(21)14-6-8-17-9-7-14;/h2-5,14,17H,6-11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyLUZHGLBRXBNWKJ-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.26
Rot. Bonds5

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

N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119299588) 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-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119299588
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12-2-4-13(5-3-12)15(20)18-10-11-19-16(21)14-6-8-17-9-7-14;/h2-5,14,17H,6-11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyLUZHGLBRXBNWKJ-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'}

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278612
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299602
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278671
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 63714328
N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide
CID 119289038
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride (CID 119299588) is N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride is Cc1ccc(C(=O)NCCNC(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is LUZHGLBRXBNWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-12-2-4-13(5-3-12)15(20)18-10-11-19-16(21)14-6-8-17-9-7-14;/h2-5,14,17H,6-11H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride?
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-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-4-carboxamide;hydrochloride is sourced from PubChem (CID 119299588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).