1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

C22H31ClN2O3 — CID 24790238

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H31ClN2O3/c1-24(12-8-18-10-14-28-15-11-18)22(27)19-4-7-21(26)25(16-19)13-9-17-2-5-20(23)6-3-17/h2-3,5-6,18-19H,4,7-16H2,1H3
InChIKeyGJJFZHRJXNQYTB-UHFFFAOYSA-N
MW406.95 g/mol
LogP3.40
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790238) has the molecular formula C22H31ClN2O3 and a molecular weight of 406.95 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790238
Molecular FormulaC22H31ClN2O3
Molecular Weight406.95 g/mol
Exact Mass406.20
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H31ClN2O3/c1-24(12-8-18-10-14-28-15-11-18)22(27)19-4-7-21(26)25(16-19)13-9-17-2-5-20(23)6-3-17/h2-3,5-6,18-19H,4,7-16H2,1H3
InChIKeyGJJFZHRJXNQYTB-UHFFFAOYSA-N
XLogP3.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.95
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-[3-(4-chlorophenyl)acryloyl]-3-piperidinecarboxylate
CID 5737579
1-[2-(4-Chlorophenyl)ethyl]-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790210
5-{[4-(3-Methoxypropyl)-1-piperidinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793807
1-(4-Chlorobenzyl)-5-[(4-methyl-1-piperidinyl)carbonyl]-2-piperidinone
CID 24817781
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326
1-(4-Chlorobenzyl)-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790131
1-[2-(4-Chlorophenyl)ethyl]-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24792085
Ethyl 4-{[1-(4-chlorobenzyl)-6-oxo-3-piperidinyl]carbonyl}-1-piperazinecarboxylate
CID 24816743
1-[2-(4-Chlorophenyl)ethyl]-5-{[4-(methoxymethyl)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24817006
1-[2-(4-Chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one
CID 24817015
1-[(4-Chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one
CID 24817812
Ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate
CID 2905629

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24790238) is 1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is CN(CCC1CCOCC1)C(=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GJJFZHRJXNQYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O3/c1-24(12-8-18-10-14-28-15-11-18)22(27)19-4-7-21(26)25(16-19)13-9-17-2-5-20(23)6-3-17/h2-3,5-6,18-19H,4,7-16H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 406.95 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).