(2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride

C15H22Cl2N2O2 — CID 119695444

IUPAC(2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(CCOc1ccccc1Cl)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-18(15(19)13-7-4-5-9-17-13)10-11-20-14-8-3-2-6-12(14)16;/h2-3,6,8,13,17H,4-5,7,9-11H2,1H3;1H/t13-;/m0./s1
InChIKeyPOUIPHUQYGSAFP-ZOWNYOTGSA-N
MW333.26 g/mol
LogP2.74
Rot. Bonds5

About (2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride

(2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119695444) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is (2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID119695444
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name(2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(CCOc1ccccc1Cl)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-18(15(19)13-7-4-5-9-17-13)10-11-20-14-8-3-2-6-12(14)16;/h2-3,6,8,13,17H,4-5,7,9-11H2,1H3;1H/t13-;/m0./s1
InChIKeyPOUIPHUQYGSAFP-ZOWNYOTGSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119274437
N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119298328
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119684300
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119695438
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
(2R)-N-[(2-ethoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103809566
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 68805915

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride (CID 119695444) is (2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride is CN(CCOc1ccccc1Cl)C(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is POUIPHUQYGSAFP-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-18(15(19)13-7-4-5-9-17-13)10-11-20-14-8-3-2-6-12(14)16;/h2-3,6,8,13,17H,4-5,7,9-11H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
(2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119695444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).