1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one

C21H30ClN3O3 — CID 24792085

IUPAC1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C21H30ClN3O3/c1-28-15-14-23-10-12-24(13-11-23)21(27)18-4-7-20(26)25(16-18)9-8-17-2-5-19(22)6-3-17/h2-3,5-6,18H,4,7-16H2,1H3
InChIKeyWUQMNVWBDBWWCJ-UHFFFAOYSA-N
MW407.94 g/mol
LogP1.91
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one

1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 24792085) has the molecular formula C21H30ClN3O3 and a molecular weight of 407.94 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID24792085
Molecular FormulaC21H30ClN3O3
Molecular Weight407.94 g/mol
Exact Mass407.20
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C21H30ClN3O3/c1-28-15-14-23-10-12-24(13-11-23)21(27)18-4-7-20(26)25(16-18)9-8-17-2-5-19(22)6-3-17/h2-3,5-6,18H,4,7-16H2,1H3
InChIKeyWUQMNVWBDBWWCJ-UHFFFAOYSA-N
XLogP1.91
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-morpholin-4-yl-methanone
CID 22896743
Ethyl 4-[(3-{[2-(4-chlorophenyl)ethyl]carbamoyl}piperidin-1-YL)sulfonyl]piperazine-1-carboxylate
CID 24789949
1-[2-(4-Chlorophenyl)ethyl]-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790210
1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide
CID 24791565
5-{[4-(2-Methoxyethyl)-1-piperazinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793163
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
N-(3-chlorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24790428
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one (CID 24792085) is 1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one is COCCN1CCN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is WUQMNVWBDBWWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O3/c1-28-15-14-23-10-12-24(13-11-23)21(27)18-4-7-20(26)25(16-18)9-8-17-2-5-19(22)6-3-17/h2-3,5-6,18H,4,7-16H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 407.94 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24792085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).