methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate

C15H20N4O5 — CID 74247912

IUPACmethyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Nc2ccc(OC)c(C(N)=O)c2)CC1
InChIInChI=1S/C15H20N4O5/c1-23-12-4-3-10(9-11(12)13(16)20)17-14(21)18-5-7-19(8-6-18)15(22)24-2/h3-4,9H,5-8H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeyUBWVCMIWVWPARR-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.71
Rot. Bonds3

About methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate

methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate (PubChem CID 74247912) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
PubChem CID74247912
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Namemethyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Nc2ccc(OC)c(C(N)=O)c2)CC1
InChIInChI=1S/C15H20N4O5/c1-23-12-4-3-10(9-11(12)13(16)20)17-14(21)18-5-7-19(8-6-18)15(22)24-2/h3-4,9H,5-8H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeyUBWVCMIWVWPARR-UHFFFAOYSA-N
XLogP0.71
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 74234628
methyl 4-(5-acetamido-2-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808791
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
CID 108884940
N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 77230279
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(4-methoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47322511
5-acetamido-N-[2-[3-[[2-[3-[[2-(3-carbamoyl-4-methoxyanilino)-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]-2-methoxybenzamide
CID 131994831

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate (CID 74247912) is methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)Nc2ccc(OC)c(C(N)=O)c2)CC1.
What is the InChIKey of methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is UBWVCMIWVWPARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-23-12-4-3-10(9-11(12)13(16)20)17-14(21)18-5-7-19(8-6-18)15(22)24-2/h3-4,9H,5-8H2,1-2H3,(H2,16,20)(H,17,21).
What are the key properties of methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate?
methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 74247912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).