2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone

C17H31N3O — CID 120997204

IUPAC2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CC1CCCCCC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C17H31N3O/c21-17(13-15-5-3-1-2-4-6-15)20-10-7-16(14-20)19-11-8-18-9-12-19/h15-16,18H,1-14H2
InChIKeyCRQIWPGKPIHIBW-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.85
Rot. Bonds3

About 2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone

2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone (PubChem CID 120997204) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
PubChem CID120997204
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CC1CCCCCC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C17H31N3O/c21-17(13-15-5-3-1-2-4-6-15)20-10-7-16(14-20)19-11-8-18-9-12-19/h15-16,18H,1-14H2
InChIKeyCRQIWPGKPIHIBW-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503
2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996941
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 80552639
2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66201863
3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120996967
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 103165068
2-(oxan-2-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120994581
3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride
CID 120995316
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114627527
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
1-(3-piperazin-1-ylpyrrolidin-1-yl)pent-4-en-1-one
CID 112739428

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone (CID 120997204) is 2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone is O=C(CC1CCCCCC1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of 2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
The InChIKey is CRQIWPGKPIHIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c21-17(13-15-5-3-1-2-4-6-15)20-10-7-16(14-20)19-11-8-18-9-12-19/h15-16,18H,1-14H2.
What are the key properties of 2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone has a molecular weight of 293.45 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 120997204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).