methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate

C14H18N2O4 — CID 113078493

IUPACmethyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate
SMILESCOC(=O)c1cccc(N2CCN(C(=O)OC)CC2)c1
InChIInChI=1S/C14H18N2O4/c1-19-13(17)11-4-3-5-12(10-11)15-6-8-16(9-7-15)14(18)20-2/h3-5,10H,6-9H2,1-2H3
InChIKeyXGZLBMDJLKPCEA-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.36
Rot. Bonds2

About methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate

methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate (PubChem CID 113078493) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate
PubChem CID113078493
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate
SMILESCOC(=O)c1cccc(N2CCN(C(=O)OC)CC2)c1
InChIInChI=1S/C14H18N2O4/c1-19-13(17)11-4-3-5-12(10-11)15-6-8-16(9-7-15)14(18)20-2/h3-5,10H,6-9H2,1-2H3
InChIKeyXGZLBMDJLKPCEA-UHFFFAOYSA-N
XLogP1.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate
CID 113078439
methyl 3-(4-butanoylpiperazin-1-yl)benzoate
CID 113078437
methyl 3-[4-(3-methylbenzoyl)piperazin-1-yl]benzoate
CID 113078450
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
methyl 3-[4-[(4-acetamidophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113114297
methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113513
methyl 3-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]benzoate
CID 113078463
methyl 3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]benzoate
CID 113104367
methyl 3-[4-[(2,4-dimethylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111486
methyl 3-[4-(butylcarbamoyl)piperazin-1-yl]benzoate
CID 113103909
methyl 3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]benzoate
CID 113110616
methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate
CID 110477788

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate (CID 113078493) is methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate is COC(=O)c1cccc(N2CCN(C(=O)OC)CC2)c1.
What is the InChIKey of methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate?
The InChIKey is XGZLBMDJLKPCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-13(17)11-4-3-5-12(10-11)15-6-8-16(9-7-15)14(18)20-2/h3-5,10H,6-9H2,1-2H3.
What are the key properties of methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate?
methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 113078493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).