N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide

C15H21ClN2O2 — CID 60938135

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C1CCNCC1
InChIInChI=1S/C15H21ClN2O2/c1-18(15(19)12-5-7-17-8-6-12)9-10-20-14-4-2-3-13(16)11-14/h2-4,11-12,17H,5-10H2,1H3
InChIKeySVPUCQRPBVCQPD-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.18
Rot. Bonds5

About N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 60938135) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
PubChem CID60938135
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C1CCNCC1
InChIInChI=1S/C15H21ClN2O2/c1-18(15(19)12-5-7-17-8-6-12)9-10-20-14-4-2-3-13(16)11-14/h2-4,11-12,17H,5-10H2,1H3
InChIKeySVPUCQRPBVCQPD-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309
N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716135
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067634
(1R,3R,4S)-N-[2-(3-chlorophenoxy)ethyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide
CID 135097680
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119695349
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18119826
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
CID 55996825
N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 43044196
2-[2-(3-chlorophenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915397

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide (CID 60938135) is N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide is CN(CCOc1cccc(Cl)c1)C(=O)C1CCNCC1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is SVPUCQRPBVCQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-18(15(19)12-5-7-17-8-6-12)9-10-20-14-4-2-3-13(16)11-14/h2-4,11-12,17H,5-10H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 60938135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).