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

C18H25FN2O — CID 828765

IUPAC(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C18H25FN2O/c19-16-7-5-6-15(14-16)18(22)21-12-10-20(11-13-21)17-8-3-1-2-4-9-17/h5-7,14,17H,1-4,8-13H2
InChIKeyZAGYOCORANADFS-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.31
Rot. Bonds2

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

(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone (PubChem CID 828765) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is (4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
PubChem CID828765
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C18H25FN2O/c19-16-7-5-6-15(14-16)18(22)21-12-10-20(11-13-21)17-8-3-1-2-4-9-17/h5-7,14,17H,1-4,8-13H2
InChIKeyZAGYOCORANADFS-UHFFFAOYSA-N
XLogP3.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(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-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
(4-cycloheptylpiperazin-4-ium-1-yl)-(3-fluorophenyl)methanone
CID 4744206
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide
CID 46038445
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602

Frequently Asked Questions

What is the IUPAC name of (4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone (CID 828765) is (4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN(C2CCCCCC2)CC1.
What is the InChIKey of (4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The InChIKey is ZAGYOCORANADFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-7-5-6-15(14-16)18(22)21-12-10-20(11-13-21)17-8-3-1-2-4-9-17/h5-7,14,17H,1-4,8-13H2.
What are the key properties of (4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone?
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone has a molecular weight of 304.41 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 828765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).