methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate

C14H16ClN3O4 — CID 2951196

IUPACmethyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O4/c1-22-12(19)8-11-13(20)16-6-7-18(11)14(21)17-10-4-2-9(15)3-5-10/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,21)
InChIKeyXUXBVIGLPFKZAL-UHFFFAOYSA-N
MW325.75 g/mol
LogP1.24
Rot. Bonds3

About methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 2951196) has the molecular formula C14H16ClN3O4 and a molecular weight of 325.75 g/mol. Its IUPAC name is methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate
PubChem CID2951196
Molecular FormulaC14H16ClN3O4
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Namemethyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O4/c1-22-12(19)8-11-13(20)16-6-7-18(11)14(21)17-10-4-2-9(15)3-5-10/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,21)
InChIKeyXUXBVIGLPFKZAL-UHFFFAOYSA-N
XLogP1.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate (CID 2951196) is methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is XUXBVIGLPFKZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4/c1-22-12(19)8-11-13(20)16-6-7-18(11)14(21)17-10-4-2-9(15)3-5-10/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,21).
What are the key properties of methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 325.75 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 2951196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).