4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one

C20H26N2O2 — CID 24716134

IUPAC4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc3c(c2)CCC3)CCN1C(=O)C1CCCC1
InChIInChI=1S/C20H26N2O2/c1-14-19(23)22(18-10-9-15-7-4-8-17(15)13-18)12-11-21(14)20(24)16-5-2-3-6-16/h9-10,13-14,16H,2-8,11-12H2,1H3
InChIKeyZPBQELHCELNMCD-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.93
Rot. Bonds2

About 4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one

4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one (PubChem CID 24716134) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one
PubChem CID24716134
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc3c(c2)CCC3)CCN1C(=O)C1CCCC1
InChIInChI=1S/C20H26N2O2/c1-14-19(23)22(18-10-9-15-7-4-8-17(15)13-18)12-11-21(14)20(24)16-5-2-3-6-16/h9-10,13-14,16H,2-8,11-12H2,1H3
InChIKeyZPBQELHCELNMCD-UHFFFAOYSA-N
XLogP2.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 93322251
1-(3-bromophenyl)-4-(cyclobutanecarbonyl)-3-methylpiperazin-2-one
CID 46743928
4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one
CID 24716171
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036020
4-(cyclopropanecarbonyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 24715846
(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93321778
1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one
CID 24715924
4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 24716603
4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 24716206
(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93322023
(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 93290815
4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 24716337

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one (CID 24716134) is 4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one is CC1C(=O)N(c2ccc3c(c2)CCC3)CCN1C(=O)C1CCCC1.
What is the InChIKey of 4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one?
The InChIKey is ZPBQELHCELNMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-19(23)22(18-10-9-15-7-4-8-17(15)13-18)12-11-21(14)20(24)16-5-2-3-6-16/h9-10,13-14,16H,2-8,11-12H2,1H3.
What are the key properties of 4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one?
4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one has a molecular weight of 326.44 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).