N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

C15H22ClN3O2 — CID 119315844

IUPACN-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CCNC(=O)C2CCCCN2)c1
InChIInChI=1S/C15H21N3O2.ClH/c16-14(19)12-5-3-4-11(10-12)7-9-18-15(20)13-6-1-2-8-17-13;/h3-5,10,13,17H,1-2,6-9H2,(H2,16,19)(H,18,20);1H
InChIKeyIAWRAQHFEQWTRB-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.01
Rot. Bonds5

About N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119315844) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119315844
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CCNC(=O)C2CCCCN2)c1
InChIInChI=1S/C15H21N3O2.ClH/c16-14(19)12-5-3-4-11(10-12)7-9-18-15(20)13-6-1-2-8-17-13;/h3-5,10,13,17H,1-2,6-9H2,(H2,16,19)(H,18,20);1H
InChIKeyIAWRAQHFEQWTRB-UHFFFAOYSA-N
XLogP1.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770333
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858
3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119770305
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119315844) is N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is Cl.NC(=O)c1cccc(CCNC(=O)C2CCCCN2)c1.
What is the InChIKey of N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is IAWRAQHFEQWTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c16-14(19)12-5-3-4-11(10-12)7-9-18-15(20)13-6-1-2-8-17-13;/h3-5,10,13,17H,1-2,6-9H2,(H2,16,19)(H,18,20);1H.
What are the key properties of N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119315844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).