(3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate

C13H16N2O4 — CID 167465187

IUPAC(3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate
SMILESCOc1cccc(COC(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C13H16N2O4/c1-18-11-4-2-3-10(7-11)9-19-13(17)15-6-5-14-12(16)8-15/h2-4,7H,5-6,8-9H2,1H3,(H,14,16)
InChIKeyRJAZWNFFWKNXOA-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.76
Rot. Bonds3

About (3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate

(3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate (PubChem CID 167465187) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate
PubChem CID167465187
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate
SMILESCOc1cccc(COC(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C13H16N2O4/c1-18-11-4-2-3-10(7-11)9-19-13(17)15-6-5-14-12(16)8-15/h2-4,7H,5-6,8-9H2,1H3,(H,14,16)
InChIKeyRJAZWNFFWKNXOA-UHFFFAOYSA-N
XLogP0.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)methyl piperazine-1-carboxylate
CID 69142530
(3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686728
4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 45241287
4-[(3S)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022609
4-[(3R)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022610
(3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate
CID 66720576
4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
CID 60718067
2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34599898
chloromethyl 3-oxopiperazine-1-carboxylate
CID 164660429
(3-methoxyphenyl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate
CID 6734510
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
CID 174537082
benzyl 8-methoxy-5-oxo-3,4-dihydro-1H-2-benzazepine-2-carboxylate
CID 171988343

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate (CID 167465187) is (3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate is COc1cccc(COC(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate?
The InChIKey is RJAZWNFFWKNXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-11-4-2-3-10(7-11)9-19-13(17)15-6-5-14-12(16)8-15/h2-4,7H,5-6,8-9H2,1H3,(H,14,16).
What are the key properties of (3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate?
(3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 167465187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).