ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate

C20H25N3O3 — CID 42629362

IUPACethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C20H25N3O3/c1-3-26-20(24)21-16-8-10-17(11-9-16)22-12-14-23(15-13-22)18-6-4-5-7-19(18)25-2/h4-11H,3,12-15H2,1-2H3,(H,21,24)
InChIKeyAOZKEZHBLWREJP-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.59
Rot. Bonds5

About ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate

ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate (PubChem CID 42629362) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
PubChem CID42629362
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nameethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C20H25N3O3/c1-3-26-20(24)21-16-8-10-17(11-9-16)22-12-14-23(15-13-22)18-6-4-5-7-19(18)25-2/h4-11H,3,12-15H2,1-2H3,(H,21,24)
InChIKeyAOZKEZHBLWREJP-UHFFFAOYSA-N
XLogP3.59
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate (CID 42629362) is ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate is CCOC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate?
The InChIKey is AOZKEZHBLWREJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-26-20(24)21-16-8-10-17(11-9-16)22-12-14-23(15-13-22)18-6-4-5-7-19(18)25-2/h4-11H,3,12-15H2,1-2H3,(H,21,24).
What are the key properties of ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate?
ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate has a molecular weight of 355.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]carbamate is sourced from PubChem (CID 42629362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).