N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride

C15H22Cl2N2O2 — CID 119274437

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCN(CCOc1ccccc1Cl)C(=O)C1CCCNC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-18(15(19)12-5-4-8-17-11-12)9-10-20-14-7-3-2-6-13(14)16;/h2-3,6-7,12,17H,4-5,8-11H2,1H3;1H
InChIKeyAQJSZHWNIPYFGL-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.60
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride

N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119274437) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119274437
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCN(CCOc1ccccc1Cl)C(=O)C1CCCNC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-18(15(19)12-5-4-8-17-11-12)9-10-20-14-7-3-2-6-13(14)16;/h2-3,6-7,12,17H,4-5,8-11H2,1H3;1H
InChIKeyAQJSZHWNIPYFGL-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 119294067
(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81129858
(2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119695444
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119695438
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 60938004
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81126354
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119340577
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119864927

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride (CID 119274437) is N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride is CN(CCOc1ccccc1Cl)C(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is AQJSZHWNIPYFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-18(15(19)12-5-4-8-17-11-12)9-10-20-14-7-3-2-6-13(14)16;/h2-3,6-7,12,17H,4-5,8-11H2,1H3;1H.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119274437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).