2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one

C16H22N2O4 — CID 15071236

IUPAC2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one
SMILESO=C1CCCC1C(=O)N1CCN(C(=O)C2CCCC2=O)CC1
InChIInChI=1S/C16H22N2O4/c19-13-5-1-3-11(13)15(21)17-7-9-18(10-8-17)16(22)12-4-2-6-14(12)20/h11-12H,1-10H2
InChIKeyNHNOLPBBLZXSQI-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.40
Rot. Bonds2

About 2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one

2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one (PubChem CID 15071236) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one
PubChem CID15071236
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one
SMILESO=C1CCCC1C(=O)N1CCN(C(=O)C2CCCC2=O)CC1
InChIInChI=1S/C16H22N2O4/c19-13-5-1-3-11(13)15(21)17-7-9-18(10-8-17)16(22)12-4-2-6-14(12)20/h11-12H,1-10H2
InChIKeyNHNOLPBBLZXSQI-UHFFFAOYSA-N
XLogP0.40
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-oxocyclopentane-1-carbothioic S-acid
CID 19374959
2-prop-2-ynoylcyclopentan-1-one
CID 87547877
2-oxocyclohexane-1-carboxylic acid;zirconium
CID 175193773
2-oxocyclodecane-1-carboxylic acid
CID 123244832
2-acetylcyclododecan-1-one
CID 4255606
1,6-bis(2-oxocyclohexyl)hexane-1,6-dione
CID 154092902
tert-butyl 2-oxocyclopentane-1-carboxylate
CID 11052317
1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione
CID 92840383
2-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidine-1-carbonyl]cyclohexan-1-one
CID 169094703
2-tridecanoylcyclopentan-1-one
CID 59066894
2-oxocyclohexane-1-carbohydrazide
CID 45084441
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one?
The IUPAC name of 2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one (CID 15071236) is 2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one.
What is the SMILES notation for 2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one?
The canonical SMILES for 2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one is O=C1CCCC1C(=O)N1CCN(C(=O)C2CCCC2=O)CC1.
What is the InChIKey of 2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one?
The InChIKey is NHNOLPBBLZXSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-13-5-1-3-11(13)15(21)17-7-9-18(10-8-17)16(22)12-4-2-6-14(12)20/h11-12H,1-10H2.
What are the key properties of 2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one?
2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one has a molecular weight of 306.36 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxocyclopentanecarbonyl)piperazine-1-carbonyl]cyclopentan-1-one is sourced from PubChem (CID 15071236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).