methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate

C16H20N2O3 — CID 113078439

IUPACmethyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate
SMILESCOC(=O)c1cccc(N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H20N2O3/c1-21-16(20)13-3-2-4-14(11-13)17-7-9-18(10-8-17)15(19)12-5-6-12/h2-4,11-12H,5-10H2,1H3
InChIKeyUCCCJROMYDYJMI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.53
Rot. Bonds3

About methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate

methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate (PubChem CID 113078439) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate
PubChem CID113078439
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate
SMILESCOC(=O)c1cccc(N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H20N2O3/c1-21-16(20)13-3-2-4-14(11-13)17-7-9-18(10-8-17)15(19)12-5-6-12/h2-4,11-12H,5-10H2,1H3
InChIKeyUCCCJROMYDYJMI-UHFFFAOYSA-N
XLogP1.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate 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

methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 113078493
methyl 3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]benzoate
CID 113110616
methyl 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]benzoate
CID 59382052
methyl 3-[4-[(4-acetamidophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113114297
methyl 3-(4-butanoylpiperazin-1-yl)benzoate
CID 113078437
methyl 3-[4-(3-methylbenzoyl)piperazin-1-yl]benzoate
CID 113078450
3-[4-(1-propan-2-ylpiperidine-4-carbonyl)piperazin-1-yl]benzoic acid
CID 72851474
cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 110478194
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-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112396
methyl 3-[4-(butylcarbamoyl)piperazin-1-yl]benzoate
CID 113103909

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate?
The IUPAC name of methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate (CID 113078439) is methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate?
The canonical SMILES for methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate is COC(=O)c1cccc(N2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate?
The InChIKey is UCCCJROMYDYJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-16(20)13-3-2-4-14(11-13)17-7-9-18(10-8-17)15(19)12-5-6-12/h2-4,11-12H,5-10H2,1H3.
What are the key properties of methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate?
methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate has a molecular weight of 288.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 113078439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).