5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one

C18H24N2O2 — CID 167867623

IUPAC5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)CCC(N2CCN(C(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C18H24N2O2/c1-18(2)9-8-15(16(18)21)19-10-12-20(13-11-19)17(22)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3
InChIKeyJQZNQZSGECCMRQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.20
Rot. Bonds2

About 5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one

5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one (PubChem CID 167867623) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one
PubChem CID167867623
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)CCC(N2CCN(C(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C18H24N2O2/c1-18(2)9-8-15(16(18)21)19-10-12-20(13-11-19)17(22)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3
InChIKeyJQZNQZSGECCMRQ-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 59992050
3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one
CID 75473640
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
trans-tert-butyl (1R,2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 12068985

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one (CID 167867623) is 5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one is CC1(C)CCC(N2CCN(C(=O)c3ccccc3)CC2)C1=O.
What is the InChIKey of 5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one?
The InChIKey is JQZNQZSGECCMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-18(2)9-8-15(16(18)21)19-10-12-20(13-11-19)17(22)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3.
What are the key properties of 5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one?
5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one has a molecular weight of 300.40 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 167867623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).