3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

C18H31N3O3 — CID 91925729

IUPAC3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)CC3CCCC3)CC2)C1=O
InChIInChI=1S/C18H31N3O3/c1-24-13-12-21-7-6-16(18(21)23)19-8-10-20(11-9-19)17(22)14-15-4-2-3-5-15/h15-16H,2-14H2,1H3
InChIKeyPWYOUGSIMPCKSQ-UHFFFAOYSA-N
MW337.46 g/mol
LogP0.96
Rot. Bonds6

About 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 91925729) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID91925729
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)CC3CCCC3)CC2)C1=O
InChIInChI=1S/C18H31N3O3/c1-24-13-12-21-7-6-16(18(21)23)19-8-10-20(11-9-19)17(22)14-15-4-2-3-5-15/h15-16H,2-14H2,1H3
InChIKeyPWYOUGSIMPCKSQ-UHFFFAOYSA-N
XLogP0.96
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 91925729) is 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CCC(N2CCN(C(=O)CC3CCCC3)CC2)C1=O.
What is the InChIKey of 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is PWYOUGSIMPCKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-24-13-12-21-7-6-16(18(21)23)19-8-10-20(11-9-19)17(22)14-15-4-2-3-5-15/h15-16H,2-14H2,1H3.
What are the key properties of 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 337.46 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 91925729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).