1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide

C16H23ClN2O2 — CID 86869685

IUPAC1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(CCOc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O2/c1-18(2)16(20)13-6-5-9-19(12-13)10-11-21-15-8-4-3-7-14(15)17/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyLZJUEAFXYHTFLH-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.52
Rot. Bonds5

About 1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide

1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 86869685) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID86869685
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(CCOc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O2/c1-18(2)16(20)13-6-5-9-19(12-13)10-11-21-15-8-4-3-7-14(15)17/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyLZJUEAFXYHTFLH-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide
CID 86869655
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
1-[2-(2-methoxyethoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 75424732
1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978835
1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56822095
1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide
CID 110176438
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110931950
1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072550
N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide
CID 97159907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide (CID 86869685) is 1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)C1CCCN(CCOc2ccccc2Cl)C1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is LZJUEAFXYHTFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-18(2)16(20)13-6-5-9-19(12-13)10-11-21-15-8-4-3-7-14(15)17/h3-4,7-8,13H,5-6,9-12H2,1-2H3.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide?
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 86869685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).