(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone

C16H21FN2O — CID 764831

IUPAC(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21FN2O/c17-14-5-3-4-13(12-14)16(20)19-10-8-18(9-11-19)15-6-1-2-7-15/h3-5,12,15H,1-2,6-11H2
InChIKeyQPTIQLUCSJVROI-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.53
Rot. Bonds2

About (4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone

(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone (PubChem CID 764831) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
PubChem CID764831
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21FN2O/c17-14-5-3-4-13(12-14)16(20)19-10-8-18(9-11-19)15-6-1-2-7-15/h3-5,12,15H,1-2,6-11H2
InChIKeyQPTIQLUCSJVROI-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
(4-cycloheptylpiperazin-4-ium-1-yl)-(3-fluorophenyl)methanone
CID 4744206
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone (CID 764831) is (4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The InChIKey is QPTIQLUCSJVROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-14-5-3-4-13(12-14)16(20)19-10-8-18(9-11-19)15-6-1-2-7-15/h3-5,12,15H,1-2,6-11H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone?
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone has a molecular weight of 276.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 764831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).