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

C18H31N3O2 — CID 91925826

IUPAC3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2CCN(C(=O)CCC3CCCCC3)CC2)C1=O
InChIInChI=1S/C18H31N3O2/c1-19-10-9-16(18(19)23)20-11-13-21(14-12-20)17(22)8-7-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3
InChIKeyHMNQWFMVAJIMEF-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.72
Rot. Bonds4

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

3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 91925826) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
PubChem CID91925826
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2CCN(C(=O)CCC3CCCCC3)CC2)C1=O
InChIInChI=1S/C18H31N3O2/c1-19-10-9-16(18(19)23)20-11-13-21(14-12-20)17(22)8-7-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3
InChIKeyHMNQWFMVAJIMEF-UHFFFAOYSA-N
XLogP1.72
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one (CID 91925826) is 3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one is CN1CCC(N2CCN(C(=O)CCC3CCCCC3)CC2)C1=O.
What is the InChIKey of 3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is HMNQWFMVAJIMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-19-10-9-16(18(19)23)20-11-13-21(14-12-20)17(22)8-7-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3.
What are the key properties of 3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 321.47 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 91925826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).