1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one

C21H29N3O2 — CID 166612327

IUPAC1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one
SMILESO=C(c1ccccc1CC1CCNC1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C21H29N3O2/c25-20-15-23(11-12-24(20)18-6-2-3-7-18)21(26)19-8-4-1-5-17(19)13-16-9-10-22-14-16/h1,4-5,8,16,18,22H,2-3,6-7,9-15H2
InChIKeyAOLYTENTIMSZFG-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.07
Rot. Bonds4

About 1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one

1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one (PubChem CID 166612327) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one
PubChem CID166612327
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one
SMILESO=C(c1ccccc1CC1CCNC1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C21H29N3O2/c25-20-15-23(11-12-24(20)18-6-2-3-7-18)21(26)19-8-4-1-5-17(19)13-16-9-10-22-14-16/h1,4-5,8,16,18,22H,2-3,6-7,9-15H2
InChIKeyAOLYTENTIMSZFG-UHFFFAOYSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one
CID 95722482
1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one
CID 56893991
[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[2-(pyrrolidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 171324934
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one
CID 118785701
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
1-cyclopropyl-4-(2-phenylacetyl)piperazin-2-one
CID 110720747
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86285127
1-[[3-(4-cyclopentyl-3-oxopiperazine-1-carbonyl)-4-fluorophenyl]methyl]quinolin-4-one
CID 68574222
(5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134706916
1-cyclopropyl-4-(2-pyrazol-1-ylpyridine-3-carbonyl)piperazin-2-one
CID 71863506

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one (CID 166612327) is 1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one is O=C(c1ccccc1CC1CCNC1)N1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one?
The InChIKey is AOLYTENTIMSZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20-15-23(11-12-24(20)18-6-2-3-7-18)21(26)19-8-4-1-5-17(19)13-16-9-10-22-14-16/h1,4-5,8,16,18,22H,2-3,6-7,9-15H2.
What are the key properties of 1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one?
1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one is sourced from PubChem (CID 166612327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).