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

C20H28ClN3O3 — CID 24790162

IUPAC1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C20H28ClN3O3/c1-27-13-12-22-8-10-23(11-9-22)20(26)17-4-7-19(25)24(15-17)14-16-2-5-18(21)6-3-16/h2-3,5-6,17H,4,7-15H2,1H3
InChIKeySPFNSVDJLWQMNB-UHFFFAOYSA-N
MW393.92 g/mol
LogP1.87
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 24790162) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID24790162
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C20H28ClN3O3/c1-27-13-12-22-8-10-23(11-9-22)20(26)17-4-7-19(25)24(15-17)14-16-2-5-18(21)6-3-16/h2-3,5-6,17H,4,7-15H2,1H3
InChIKeySPFNSVDJLWQMNB-UHFFFAOYSA-N
XLogP1.87
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide
CID 3500831
1-[2-(4-Chlorophenyl)ethyl]-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790210
5-{[4-(3-Chlorobenzyl)-1-piperazinyl]carbonyl}-1-cyclopentyl-2-piperidinone
CID 24791192
5-{[4-(2-Methoxyethyl)-1-piperazinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793163
1-(4-chlorobenzyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817174
N-[1-(4-chlorobenzyl)-3-piperidyl]-3-(2-ketopiperidino)propionamide
CID 24817686
1-(4-Chlorobenzyl)-5-[(4-methyl-1-piperidinyl)carbonyl]-2-piperidinone
CID 24817781
(4-Chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 34680232
[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 76321041
1-[4-[(4-Chlorophenyl)methyl-methylamino]butyl]piperidin-2-one
CID 134150162
1-[4-(4-Chlorobenzyl)piperazin-1-yl]-3-methylbutan-1-one
CID 742521
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one (CID 24790162) is 1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one is COCCN1CCN(C(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is SPFNSVDJLWQMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O3/c1-27-13-12-22-8-10-23(11-9-22)20(26)17-4-7-19(25)24(15-17)14-16-2-5-18(21)6-3-16/h2-3,5-6,17H,4,7-15H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 393.92 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24790162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).