N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide

C16H23ClN2O2 — CID 114423293

IUPACN-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)N(C)CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O2/c1-12-7-8-18-15(11-12)16(20)19(2)9-10-21-14-5-3-13(17)4-6-14/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyNZQHOYCNTBLQCX-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide (PubChem CID 114423293) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide
PubChem CID114423293
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)N(C)CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O2/c1-12-7-8-18-15(11-12)16(20)19(2)9-10-21-14-5-3-13(17)4-6-14/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyNZQHOYCNTBLQCX-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61214201
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974426
(2R,4S)-N-[3-(4-chlorophenoxy)propyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138836
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952702
N-[2-(2-hydroxyethoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide
CID 114243077
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119684300
N,4-dimethyl-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 114422878

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide (CID 114423293) is N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide is CC1CCNC(C(=O)N(C)CCOc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide?
The InChIKey is NZQHOYCNTBLQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12-7-8-18-15(11-12)16(20)19(2)9-10-21-14-5-3-13(17)4-6-14/h3-6,12,15,18H,7-11H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 114423293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).