3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one

C21H37N3O2 — CID 91925897

IUPAC3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
SMILESCC(C)CCN1CCC(N2CCN(C(=O)CC3CCCCC3)CC2)C1=O
InChIInChI=1S/C21H37N3O2/c1-17(2)8-10-24-11-9-19(21(24)26)22-12-14-23(15-13-22)20(25)16-18-6-4-3-5-7-18/h17-19H,3-16H2,1-2H3
InChIKeyZFGWWCBRIVTHHL-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.75
Rot. Bonds6

About 3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one

3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one (PubChem CID 91925897) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
PubChem CID91925897
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
SMILESCC(C)CCN1CCC(N2CCN(C(=O)CC3CCCCC3)CC2)C1=O
InChIInChI=1S/C21H37N3O2/c1-17(2)8-10-24-11-9-19(21(24)26)22-12-14-23(15-13-22)20(25)16-18-6-4-3-5-7-18/h17-19H,3-16H2,1-2H3
InChIKeyZFGWWCBRIVTHHL-UHFFFAOYSA-N
XLogP2.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 61030469
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
1-(3-methylbutyl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]pyrrolidin-2-one
CID 91925893
3-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
CID 91913096
1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one
CID 26349680
1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
CID 91925816
1-[4-(1-bromoethyl)piperidin-1-yl]-2-cycloheptylethanone
CID 106839467
1-(3-methylbutyl)-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one
CID 91925909
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137339191
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one (CID 91925897) is 3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one is CC(C)CCN1CCC(N2CCN(C(=O)CC3CCCCC3)CC2)C1=O.
What is the InChIKey of 3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one?
The InChIKey is ZFGWWCBRIVTHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-17(2)8-10-24-11-9-19(21(24)26)22-12-14-23(15-13-22)20(25)16-18-6-4-3-5-7-18/h17-19H,3-16H2,1-2H3.
What are the key properties of 3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one?
3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one has a molecular weight of 363.55 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 91925897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).