1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one

C22H34N4O4 — CID 56707500

IUPAC1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one
SMILESO=C1CCCN1CCCN1CC(C(=O)N2CCN(C3CCCC3)C(=O)C2)CCC1=O
InChIInChI=1S/C22H34N4O4/c27-19-7-3-10-23(19)11-4-12-24-15-17(8-9-20(24)28)22(30)25-13-14-26(21(29)16-25)18-5-1-2-6-18/h17-18H,1-16H2
InChIKeyIPBAYQKOBLOMEU-UHFFFAOYSA-N
MW418.54 g/mol
LogP0.85
Rot. Bonds6

About 1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one

1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one (PubChem CID 56707500) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one
PubChem CID56707500
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC Name1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one
SMILESO=C1CCCN1CCCN1CC(C(=O)N2CCN(C3CCCC3)C(=O)C2)CCC1=O
InChIInChI=1S/C22H34N4O4/c27-19-7-3-10-23(19)11-4-12-24-15-17(8-9-20(24)28)22(30)25-13-14-26(21(29)16-25)18-5-1-2-6-18/h17-18H,1-16H2
InChIKeyIPBAYQKOBLOMEU-UHFFFAOYSA-N
XLogP0.85
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one with MolForge

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Related Compounds

4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one
CID 45173232
4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one
CID 42189233
1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one
CID 25288202
3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 131918987
N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45200305
4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one
CID 131918848
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
(3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26315344
(3R)-N-[2-(4-chlorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 95221049
(3S)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42358325
(3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 25460654
4-[1-[2-(dimethylamino)ethyl]-6-oxopiperidine-3-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45204392

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one (CID 56707500) is 1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one is O=C1CCCN1CCCN1CC(C(=O)N2CCN(C3CCCC3)C(=O)C2)CCC1=O.
What is the InChIKey of 1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one?
The InChIKey is IPBAYQKOBLOMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4/c27-19-7-3-10-23(19)11-4-12-24-15-17(8-9-20(24)28)22(30)25-13-14-26(21(29)16-25)18-5-1-2-6-18/h17-18H,1-16H2.
What are the key properties of 1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one?
1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one has a molecular weight of 418.54 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 56707500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).