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

C21H27N3O3 — CID 67282726

IUPAC[3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESCOc1cccc(N2CCN(CCC(OC(N)=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O3/c1-26-19-9-5-8-18(16-19)24-14-12-23(13-15-24)11-10-20(27-21(22)25)17-6-3-2-4-7-17/h2-9,16,20H,10-15H2,1H3,(H2,22,25)
InChIKeyHJAIACYBZSZYNF-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.04
Rot. Bonds7

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

[3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (PubChem CID 67282726) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.

Molecular Properties

Compound Name[3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
PubChem CID67282726
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESCOc1cccc(N2CCN(CCC(OC(N)=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O3/c1-26-19-9-5-8-18(16-19)24-14-12-23(13-15-24)11-10-20(27-21(22)25)17-6-3-2-4-7-17/h2-9,16,20H,10-15H2,1H3,(H2,22,25)
InChIKeyHJAIACYBZSZYNF-UHFFFAOYSA-N
XLogP3.04
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The IUPAC name of [3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (CID 67282726) is [3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.
What is the SMILES notation for [3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The canonical SMILES for [3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is COc1cccc(N2CCN(CCC(OC(N)=O)c3ccccc3)CC2)c1.
What is the InChIKey of [3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The InChIKey is HJAIACYBZSZYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-19-9-5-8-18(16-19)24-14-12-23(13-15-24)11-10-20(27-21(22)25)17-6-3-2-4-7-17/h2-9,16,20H,10-15H2,1H3,(H2,22,25).
What are the key properties of [3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
[3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate has a molecular weight of 369.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is sourced from PubChem (CID 67282726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).