2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone

C16H27N3O2 — CID 61175911

IUPAC2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESO=C(C1CCCN1C(=O)CC1CCCC1)N1CCNCC1
InChIInChI=1S/C16H27N3O2/c20-15(12-13-4-1-2-5-13)19-9-3-6-14(19)16(21)18-10-7-17-8-11-18/h13-14,17H,1-12H2
InChIKeyJSOJVGVGEGMERM-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.99
Rot. Bonds3

About 2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 61175911) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID61175911
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESO=C(C1CCCN1C(=O)CC1CCCC1)N1CCNCC1
InChIInChI=1S/C16H27N3O2/c20-15(12-13-4-1-2-5-13)19-9-3-6-14(19)16(21)18-10-7-17-8-11-18/h13-14,17H,1-12H2
InChIKeyJSOJVGVGEGMERM-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one
CID 62677215
1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 62677214
2-tert-butylsulfanyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61176844
2-[(2-methylpropan-2-yl)oxy]-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 115949467
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 119402982
1-[2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119415727
1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 43212210
N-ethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 61176280
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394797

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone (CID 61175911) is 2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone is O=C(C1CCCN1C(=O)CC1CCCC1)N1CCNCC1.
What is the InChIKey of 2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is JSOJVGVGEGMERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-15(12-13-4-1-2-5-13)19-9-3-6-14(19)16(21)18-10-7-17-8-11-18/h13-14,17H,1-12H2.
What are the key properties of 2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 293.41 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 61175911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).