2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone

C17H31N3O — CID 120996941

IUPAC2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
SMILESCC1CCC(CC(=O)N2CCC(N3CCNCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-14-2-4-15(5-3-14)12-17(21)20-9-6-16(13-20)19-10-7-18-8-11-19/h14-16,18H,2-13H2,1H3
InChIKeyHAHCXJKDXOJVCU-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.71
Rot. Bonds3

About 2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone

2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone (PubChem CID 120996941) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
PubChem CID120996941
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
SMILESCC1CCC(CC(=O)N2CCC(N3CCNCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-14-2-4-15(5-3-14)12-17(21)20-9-6-16(13-20)19-10-7-18-8-11-19/h14-16,18H,2-13H2,1H3
InChIKeyHAHCXJKDXOJVCU-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204
2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66201863
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120996967
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride
CID 120994583
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264
1-(3-piperazin-1-ylpyrrolidin-1-yl)pent-4-en-1-one
CID 112739428
2-(oxan-2-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120994581
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 103165068
1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one
CID 115270004
2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120995473

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone (CID 120996941) is 2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone is CC1CCC(CC(=O)N2CCC(N3CCNCC3)C2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
The InChIKey is HAHCXJKDXOJVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14-2-4-15(5-3-14)12-17(21)20-9-6-16(13-20)19-10-7-18-8-11-19/h14-16,18H,2-13H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone has a molecular weight of 293.45 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 120996941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).