3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one

C16H27N3O2 — CID 110876735

IUPAC3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2CCN(C(=O)C3CCCCC3)CC2)C1=O
InChIInChI=1S/C16H27N3O2/c1-17-8-7-14(16(17)21)18-9-11-19(12-10-18)15(20)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3
InChIKeyBQYCCQXROOGNMI-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.94
Rot. Bonds2

About 3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one

3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 110876735) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
PubChem CID110876735
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2CCN(C(=O)C3CCCCC3)CC2)C1=O
InChIInChI=1S/C16H27N3O2/c1-17-8-7-14(16(17)21)18-9-11-19(12-10-18)15(20)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3
InChIKeyBQYCCQXROOGNMI-UHFFFAOYSA-N
XLogP0.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one (CID 110876735) is 3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one is CN1CCC(N2CCN(C(=O)C3CCCCC3)CC2)C1=O.
What is the InChIKey of 3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is BQYCCQXROOGNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-17-8-7-14(16(17)21)18-9-11-19(12-10-18)15(20)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3.
What are the key properties of 3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 293.41 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 110876735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).