(4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone

C23H34FN3O — CID 68596788

IUPAC(4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone
SMILESO=C(C1CCC(NCc2ccc(F)cc2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H34FN3O/c24-20-9-5-18(6-10-20)17-25-21-11-7-19(8-12-21)23(28)27-15-13-26(14-16-27)22-3-1-2-4-22/h5-6,9-10,19,21-22,25H,1-4,7-8,11-17H2
InChIKeyGHCRQLNXEBXNDG-UHFFFAOYSA-N
MW387.54 g/mol
LogP3.56
Rot. Bonds5

About (4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone

(4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone (PubChem CID 68596788) has the molecular formula C23H34FN3O and a molecular weight of 387.54 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone
PubChem CID68596788
Molecular FormulaC23H34FN3O
Molecular Weight387.54 g/mol
Exact Mass387.27
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone
SMILESO=C(C1CCC(NCc2ccc(F)cc2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H34FN3O/c24-20-9-5-18(6-10-20)17-25-21-11-7-19(8-12-21)23(28)27-15-13-26(14-16-27)22-3-1-2-4-22/h5-6,9-10,19,21-22,25H,1-4,7-8,11-17H2
InChIKeyGHCRQLNXEBXNDG-UHFFFAOYSA-N
XLogP3.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone with MolForge

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Related Compounds

1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 156782389
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
CID 67392962
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434746
cyclopropyl-[4-[(4-phenylphenyl)methylamino]piperidin-1-yl]methanone;hydrochloride
CID 56808716
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
CID 110246552
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758
[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 68596509

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone (CID 68596788) is (4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone is O=C(C1CCC(NCc2ccc(F)cc2)CC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone?
The InChIKey is GHCRQLNXEBXNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O/c24-20-9-5-18(6-10-20)17-25-21-11-7-19(8-12-21)23(28)27-15-13-26(14-16-27)22-3-1-2-4-22/h5-6,9-10,19,21-22,25H,1-4,7-8,11-17H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone?
(4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone has a molecular weight of 387.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone is sourced from PubChem (CID 68596788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).