[3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate

C21H27N3O2 — CID 67281007

IUPAC[3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESCc1ccccc1N1CCN(CCC(OC(N)=O)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-17-7-5-6-10-19(17)24-15-13-23(14-16-24)12-11-20(26-21(22)25)18-8-3-2-4-9-18/h2-10,20H,11-16H2,1H3,(H2,22,25)
InChIKeySAFRUOMVORAUIK-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.34
Rot. Bonds6

About [3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate

[3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (PubChem CID 67281007) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.

Molecular Properties

Compound Name[3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
PubChem CID67281007
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESCc1ccccc1N1CCN(CCC(OC(N)=O)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-17-7-5-6-10-19(17)24-15-13-23(14-16-24)12-11-20(26-21(22)25)18-8-3-2-4-9-18/h2-10,20H,11-16H2,1H3,(H2,22,25)
InChIKeySAFRUOMVORAUIK-UHFFFAOYSA-N
XLogP3.34
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] 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

[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305
[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281574
[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606
[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281133
[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281832
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1-phenylbutyl] carbamate
CID 67281993
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
1-[3-(1,3-benzodioxol-5-yl)-3-phenoxypropyl]-4-(2-methylphenyl)piperazine
CID 42867943
[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67280973
[3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropyl] propanoate
CID 3073540

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The IUPAC name of [3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (CID 67281007) is [3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.
What is the SMILES notation for [3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The canonical SMILES for [3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is Cc1ccccc1N1CCN(CCC(OC(N)=O)c2ccccc2)CC1.
What is the InChIKey of [3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The InChIKey is SAFRUOMVORAUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-7-5-6-10-19(17)24-15-13-23(14-16-24)12-11-20(26-21(22)25)18-8-3-2-4-9-18/h2-10,20H,11-16H2,1H3,(H2,22,25).
What are the key properties of [3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
[3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate has a molecular weight of 353.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is sourced from PubChem (CID 67281007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).