ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate

C14H18ClN3O3 — CID 645322

IUPACethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClN3O3/c1-2-21-14(20)18-9-7-17(8-10-18)13(19)16-12-6-4-3-5-11(12)15/h3-6H,2,7-10H2,1H3,(H,16,19)
InChIKeyGOZPRTKFIKWQRY-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.65
Rot. Bonds2

About ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate

ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate (PubChem CID 645322) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate
PubChem CID645322
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Nameethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClN3O3/c1-2-21-14(20)18-9-7-17(8-10-18)13(19)16-12-6-4-3-5-11(12)15/h3-6H,2,7-10H2,1H3,(H,16,19)
InChIKeyGOZPRTKFIKWQRY-UHFFFAOYSA-N
XLogP2.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[(2-chlorophenyl)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-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-
CID 1809198
1-(2-Chlorophenylcarbamoyl)-2-methylpiperidine
CID 3136155
Ethyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate
CID 104609
Tert-butyl 4-[(3-chlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylate
CID 2815733
1-(4-Chlorophenyl)-3-(2-piperidin-1-ylethyl)urea
CID 4189678
Ethyl 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinecarboxylate
CID 104610
N-(3-Chlorophenyl)-4-phenyl-1-piperazinecarboxamide
CID 858193
1-(3-Chlorophenylcarbamoyl)piperidine
CID 350216
Cambridge id 5628081
CID 234240
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate (CID 645322) is ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is GOZPRTKFIKWQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-2-21-14(20)18-9-7-17(8-10-18)13(19)16-12-6-4-3-5-11(12)15/h3-6H,2,7-10H2,1H3,(H,16,19).
What are the key properties of ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate?
ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 311.77 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-chlorophenyl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 645322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).