[4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate

C24H25N3O3 — CID 175266285

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate
SMILESCOc1ccc(N2CCN(OC(=O)N(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O3/c1-29-23-14-12-20(13-15-23)25-16-18-26(19-17-25)30-24(28)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3
InChIKeyNCPWKTSTRNADSB-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.71
Rot. Bonds5

About [4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate

[4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate (PubChem CID 175266285) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate
PubChem CID175266285
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate
SMILESCOc1ccc(N2CCN(OC(=O)N(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O3/c1-29-23-14-12-20(13-15-23)25-16-18-26(19-17-25)30-24(28)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3
InChIKeyNCPWKTSTRNADSB-UHFFFAOYSA-N
XLogP4.71
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 3040739
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108986682
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211150
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate (CID 175266285) is [4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate is COc1ccc(N2CCN(OC(=O)N(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate?
The InChIKey is NCPWKTSTRNADSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-23-14-12-20(13-15-23)25-16-18-26(19-17-25)30-24(28)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate?
[4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate has a molecular weight of 403.48 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate is sourced from PubChem (CID 175266285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).