3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate

C18H30N2O4 — CID 54786079

IUPAC3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate
SMILESCC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)CC1CCCC1
InChIInChI=1S/C18H30N2O4/c1-13(2)7-10-24-17(22)12-15-18(23)19-8-9-20(15)16(21)11-14-5-3-4-6-14/h13-15H,3-12H2,1-2H3,(H,19,23)
InChIKeyUHYOUJBCTNIAND-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.87
Rot. Bonds7

About 3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate

3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 54786079) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Name3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate
PubChem CID54786079
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate
SMILESCC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)CC1CCCC1
InChIInChI=1S/C18H30N2O4/c1-13(2)7-10-24-17(22)12-15-18(23)19-8-9-20(15)16(21)11-14-5-3-4-6-14/h13-15H,3-12H2,1-2H3,(H,19,23)
InChIKeyUHYOUJBCTNIAND-UHFFFAOYSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of 3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate (CID 54786079) is 3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for 3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for 3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate is CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)CC1CCCC1.
What is the InChIKey of 3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is UHYOUJBCTNIAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-13(2)7-10-24-17(22)12-15-18(23)19-8-9-20(15)16(21)11-14-5-3-4-6-14/h13-15H,3-12H2,1-2H3,(H,19,23).
What are the key properties of 3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate?
3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 338.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54786079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).