methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate

C19H20ClN3O3 — CID 113113008

IUPACmethyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3O3/c1-26-18(24)16-4-2-3-5-17(16)22-10-12-23(13-11-22)19(25)21-15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,21,25)
InChIKeyQRKOMPTXGFHPIP-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.48
Rot. Bonds3

About methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate

methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate (PubChem CID 113113008) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate
PubChem CID113113008
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Namemethyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3O3/c1-26-18(24)16-4-2-3-5-17(16)22-10-12-23(13-11-22)19(25)21-15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,21,25)
InChIKeyQRKOMPTXGFHPIP-UHFFFAOYSA-N
XLogP3.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[(4-chlorophenyl)carbamoyl]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 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113629
methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113775
methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113586
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
methyl 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]benzoate
CID 113078382
methyl 2-chloro-5-[[4-(2-methoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 55740855
N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113113026
methyl 2-[4-(tert-butylcarbamoyl)piperazin-1-yl]benzoate
CID 113110433
methyl 4-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111065
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
methyl 2-(4-benzoylpiperazin-1-yl)benzoate
CID 113078358

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate?
The IUPAC name of methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate (CID 113113008) is methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate?
The canonical SMILES for methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate is COC(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate?
The InChIKey is QRKOMPTXGFHPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-26-18(24)16-4-2-3-5-17(16)22-10-12-23(13-11-22)19(25)21-15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,21,25).
What are the key properties of methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate?
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate has a molecular weight of 373.84 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 113113008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).