N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide

C16H23ClN2O2 — CID 107067634

IUPACN-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-12-5-4-8-18-15(12)16(20)19(2)9-10-21-14-7-3-6-13(17)11-14/h3,6-7,11-12,15,18H,4-5,8-10H2,1-2H3
InChIKeyHENZVLBQQKOPEC-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide (PubChem CID 107067634) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
PubChem CID107067634
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-12-5-4-8-18-15(12)16(20)19(2)9-10-21-14-7-3-6-13(17)11-14/h3,6-7,11-12,15,18H,4-5,8-10H2,1-2H3
InChIKeyHENZVLBQQKOPEC-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-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716135
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067637
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119739747
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309
N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 62339975
N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067660
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
N,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidine-2-carboxamide
CID 81056495
(2R,3S)-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920159
N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18119826
(1R,3R,4S)-N-[2-(3-chlorophenoxy)ethyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide
CID 135097680

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide (CID 107067634) is N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide is CC1CCCNC1C(=O)N(C)CCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide?
The InChIKey is HENZVLBQQKOPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12-5-4-8-18-15(12)16(20)19(2)9-10-21-14-7-3-6-13(17)11-14/h3,6-7,11-12,15,18H,4-5,8-10H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-N,3-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-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 107067634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).