N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride

C15H22ClN3O2 — CID 119383801

IUPACN-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
SMILESCN1C(=O)CCC(C(=O)NCCN)C1c1ccccc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-18-13(19)8-7-12(15(20)17-10-9-16)14(18)11-5-3-2-4-6-11;/h2-6,12,14H,7-10,16H2,1H3,(H,17,20);1H
InChIKeyCAZVSUOVNDNVMA-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.09
Rot. Bonds4

About N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119383801) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
PubChem CID119383801
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
SMILESCN1C(=O)CCC(C(=O)NCCN)C1c1ccccc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-18-13(19)8-7-12(15(20)17-10-9-16)14(18)11-5-3-2-4-6-11;/h2-6,12,14H,7-10,16H2,1H3,(H,17,20);1H
InChIKeyCAZVSUOVNDNVMA-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119535808
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CID 119392654
1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
(2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid
CID 119364584
(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 124607174
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 136525165
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29131437
(2R,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457673
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538264

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride (CID 119383801) is N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride is CN1C(=O)CCC(C(=O)NCCN)C1c1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is CAZVSUOVNDNVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-18-13(19)8-7-12(15(20)17-10-9-16)14(18)11-5-3-2-4-6-11;/h2-6,12,14H,7-10,16H2,1H3,(H,17,20);1H.
What are the key properties of N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119383801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).