1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone

C18H24N2O2 — CID 110364750

IUPAC1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H24N2O2/c21-17(14-15-6-2-1-3-7-15)19-10-12-20(13-11-19)18(22)16-8-4-5-9-16/h1-3,6-7,16H,4-5,8-14H2
InChIKeyREGBUVSVZLRFDA-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds3

About 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 110364750) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
PubChem CID110364750
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H24N2O2/c21-17(14-15-6-2-1-3-7-15)19-10-12-20(13-11-19)18(22)16-8-4-5-9-16/h1-3,6-7,16H,4-5,8-14H2
InChIKeyREGBUVSVZLRFDA-UHFFFAOYSA-N
XLogP2.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110797870
1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
CID 146123827
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone (CID 110364750) is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is REGBUVSVZLRFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17(14-15-6-2-1-3-7-15)19-10-12-20(13-11-19)18(22)16-8-4-5-9-16/h1-3,6-7,16H,4-5,8-14H2.
What are the key properties of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 300.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110364750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).