1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one

C22H30FN3O2 — CID 24817422

IUPAC1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H30FN3O2/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
InChIKeyLTQZZGIUEQBKEK-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.65
Rot. Bonds4

About 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one

1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one (PubChem CID 24817422) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
PubChem CID24817422
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H30FN3O2/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
InChIKeyLTQZZGIUEQBKEK-UHFFFAOYSA-N
XLogP2.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
(2-Fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 754219
(3-Fluorophenyl)[3-(piperidin-1-ylcarbonyl)piperidin-1-yl]methanone
CID 3769094
(4-Fluorophenyl)[3-(piperidin-1-ylcarbonyl)piperidin-1-yl]methanone
CID 3791194
1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851918
1-Cyclohexyl-4-(1-((4-fluorophenyl)(phenyl)methyl)piperazine-4-carbonyl)pyrrolidin-2-one
CID 16077264
1-[4-[(3-Fluorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742529
Cambridge id 5260289
CID 2838041
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224
1-(2-(1-Benzylpiperidin-4-yl)ethyl)piperidin-2-one
CID 10335000

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one (CID 24817422) is 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one is O=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is LTQZZGIUEQBKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/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 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one?
1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 387.50 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24817422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).