[4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone

C15H19ClN2O — CID 1225855

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O/c16-13-4-6-14(7-5-13)17-8-10-18(11-9-17)15(19)12-2-1-3-12/h4-7,12H,1-3,8-11H2
InChIKeyFYXKFTAYFMWHTD-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.79
Rot. Bonds2

About [4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone

[4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone (PubChem CID 1225855) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone
PubChem CID1225855
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O/c16-13-4-6-14(7-5-13)17-8-10-18(11-9-17)15(19)12-2-1-3-12/h4-7,12H,1-3,8-11H2
InChIKeyFYXKFTAYFMWHTD-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone (CID 1225855) is [4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone?
The InChIKey is FYXKFTAYFMWHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-13-4-6-14(7-5-13)17-8-10-18(11-9-17)15(19)12-2-1-3-12/h4-7,12H,1-3,8-11H2.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone?
[4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone has a molecular weight of 278.78 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 1225855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).