2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate

C14H22N2O4 — CID 16958170

IUPAC2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate
SMILESCC(C)COC(=O)CC1C(=O)NCCN1C(=O)C1CC1
InChIInChI=1S/C14H22N2O4/c1-9(2)8-20-12(17)7-11-13(18)15-5-6-16(11)14(19)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,15,18)
InChIKeyZBLKDLJWVVVQPF-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.31
Rot. Bonds5

About 2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate

2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 16958170) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate
PubChem CID16958170
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate
SMILESCC(C)COC(=O)CC1C(=O)NCCN1C(=O)C1CC1
InChIInChI=1S/C14H22N2O4/c1-9(2)8-20-12(17)7-11-13(18)15-5-6-16(11)14(19)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,15,18)
InChIKeyZBLKDLJWVVVQPF-UHFFFAOYSA-N
XLogP0.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of 2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate (CID 16958170) is 2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for 2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for 2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate is CC(C)COC(=O)CC1C(=O)NCCN1C(=O)C1CC1.
What is the InChIKey of 2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is ZBLKDLJWVVVQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(2)8-20-12(17)7-11-13(18)15-5-6-16(11)14(19)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate?
2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 282.34 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[1-(cyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 16958170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).