5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one

C22H30ClN3O2 — CID 24791192

IUPAC5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H30ClN3O2/c23-19-5-3-4-17(14-19)15-24-10-12-25(13-11-24)22(28)18-8-9-21(27)26(16-18)20-6-1-2-7-20/h3-5,14,18,20H,1-2,6-13,15-16H2
InChIKeyLPCPWGIZQSNILO-UHFFFAOYSA-N
MW403.95 g/mol
LogP3.17
Rot. Bonds4

About 5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one

5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one (PubChem CID 24791192) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one.

Molecular Properties

Compound Name5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one
PubChem CID24791192
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H30ClN3O2/c23-19-5-3-4-17(14-19)15-24-10-12-25(13-11-24)22(28)18-8-9-21(27)26(16-18)20-6-1-2-7-20/h3-5,14,18,20H,1-2,6-13,15-16H2
InChIKeyLPCPWGIZQSNILO-UHFFFAOYSA-N
XLogP3.17
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 742520
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide
CID 3500831
2-(S)-Amino-4-(3-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11404106
(1-(3-Chlorobenzyl)piperidin-3-yl)(piperidin-1-yl)methanone oxalate
CID 24761135
N-(4-chlorobenzyl)-1-cycloheptyl-6-oxo-3-piperidinecarboxamide
CID 24792074
1-(4-chlorobenzyl)-N-(3-cyclopentylpropyl)-6-oxo-3-piperidinecarboxamide
CID 24794182
1-(4-chlorobenzyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817174
[1-[1-(3-Chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 24817339
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
(3R,5S)-5-(3-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565153
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one?
The IUPAC name of 5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one (CID 24791192) is 5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one.
What is the SMILES notation for 5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one?
The canonical SMILES for 5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one is O=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one?
The InChIKey is LPCPWGIZQSNILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O2/c23-19-5-3-4-17(14-19)15-24-10-12-25(13-11-24)22(28)18-8-9-21(27)26(16-18)20-6-1-2-7-20/h3-5,14,18,20H,1-2,6-13,15-16H2.
What are the key properties of 5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one?
5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one has a molecular weight of 403.95 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one is sourced from PubChem (CID 24791192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).