ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate

C21H24ClN3O3 — CID 9183458

IUPACethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-2-28-21(27)23-19-8-6-17(7-9-19)20(26)25-12-10-24(11-13-25)15-16-4-3-5-18(22)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,23,27)
InChIKeyVWYAWQFJYPMRPS-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.87
Rot. Bonds5

About ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate

ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate (PubChem CID 9183458) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
PubChem CID9183458
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Nameethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-2-28-21(27)23-19-8-6-17(7-9-19)20(26)25-12-10-24(11-13-25)15-16-4-3-5-18(22)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,23,27)
InChIKeyVWYAWQFJYPMRPS-UHFFFAOYSA-N
XLogP3.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]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

Related Compounds

ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
CID 9183800
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 31619646
N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 17377817
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 19323545
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[4-(pyridin-4-ylmethoxy)phenyl]methanone
CID 36998498
methyl N-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 96574812
1,3-benzodioxol-5-yl-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 8642805
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 6467974

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate (CID 9183458) is ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate?
The InChIKey is VWYAWQFJYPMRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-2-28-21(27)23-19-8-6-17(7-9-19)20(26)25-12-10-24(11-13-25)15-16-4-3-5-18(22)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,23,27).
What are the key properties of ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate?
ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate has a molecular weight of 401.89 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate is sourced from PubChem (CID 9183458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).