propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate

C17H24N2O3 — CID 4777789

IUPACpropyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1Cc1ccccc1C
InChIInChI=1S/C17H24N2O3/c1-3-10-22-16(20)11-15-17(21)18-8-9-19(15)12-14-7-5-4-6-13(14)2/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyUJEKQSKQOMSQFY-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.64
Rot. Bonds6

About propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 4777789) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
PubChem CID4777789
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namepropyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1Cc1ccccc1C
InChIInChI=1S/C17H24N2O3/c1-3-10-22-16(20)11-15-17(21)18-8-9-19(15)12-14-7-5-4-6-13(14)2/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyUJEKQSKQOMSQFY-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate (CID 4777789) is propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate is CCCOC(=O)CC1C(=O)NCCN1Cc1ccccc1C.
What is the InChIKey of propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is UJEKQSKQOMSQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-10-22-16(20)11-15-17(21)18-8-9-19(15)12-14-7-5-4-6-13(14)2/h4-7,15H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 304.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 4777789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).