1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one

C28H38N2O2 — CID 15524030

IUPAC1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
SMILESCOc1ccccc1N1CCN(CCC(C(=O)C2CCCCCC2)c2ccccc2)CC1
InChIInChI=1S/C28H38N2O2/c1-32-27-16-10-9-15-26(27)30-21-19-29(20-22-30)18-17-25(23-11-7-4-8-12-23)28(31)24-13-5-2-3-6-14-24/h4,7-12,15-16,24-25H,2-3,5-6,13-14,17-22H2,1H3
InChIKeySYKQOMIQMKJONH-UHFFFAOYSA-N
MW434.62 g/mol
LogP5.53
Rot. Bonds8

About 1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one

1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one (PubChem CID 15524030) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is 1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
PubChem CID15524030
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
SMILESCOc1ccccc1N1CCN(CCC(C(=O)C2CCCCCC2)c2ccccc2)CC1
InChIInChI=1S/C28H38N2O2/c1-32-27-16-10-9-15-26(27)30-21-19-29(20-22-30)18-17-25(23-11-7-4-8-12-23)28(31)24-13-5-2-3-6-14-24/h4,7-12,15-16,24-25H,2-3,5-6,13-14,17-22H2,1H3
InChIKeySYKQOMIQMKJONH-UHFFFAOYSA-N
XLogP5.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one;dihydrochloride
CID 22244113
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide
CID 15296377
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylcyclohexanecarboxamide
CID 139835093
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 18956031
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-1-one
CID 19968357
(2R)-1-(8-azabicyclo[3.2.1]octan-8-yl)-4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 22870578
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl]cyclohexan-1-ol
CID 151295162
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-propan-2-ylcyclohexanecarboxamide
CID 11798444

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
The IUPAC name of 1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one (CID 15524030) is 1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
The canonical SMILES for 1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one is COc1ccccc1N1CCN(CCC(C(=O)C2CCCCCC2)c2ccccc2)CC1.
What is the InChIKey of 1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
The InChIKey is SYKQOMIQMKJONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O2/c1-32-27-16-10-9-15-26(27)30-21-19-29(20-22-30)18-17-25(23-11-7-4-8-12-23)28(31)24-13-5-2-3-6-14-24/h4,7-12,15-16,24-25H,2-3,5-6,13-14,17-22H2,1H3.
What are the key properties of 1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one has a molecular weight of 434.62 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 15524030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).