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

C21H27N3O3 — CID 67282756

IUPAC[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESCOc1ccccc1N1CCN(CCC(OC(N)=O)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O3/c1-26-20-10-6-5-9-18(20)24-15-13-23(14-16-24)12-11-19(27-21(22)25)17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H2,22,25)
InChIKeyUIBMFGZVKSYOGS-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.04
Rot. Bonds7

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

[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (PubChem CID 67282756) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.

Molecular Properties

Compound Name[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
PubChem CID67282756
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESCOc1ccccc1N1CCN(CCC(OC(N)=O)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O3/c1-26-20-10-6-5-9-18(20)24-15-13-23(14-16-24)12-11-19(27-21(22)25)17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H2,22,25)
InChIKeyUIBMFGZVKSYOGS-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-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The IUPAC name of [3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (CID 67282756) is [3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.
What is the SMILES notation for [3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The canonical SMILES for [3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is COc1ccccc1N1CCN(CCC(OC(N)=O)c2ccccc2)CC1.
What is the InChIKey of [3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The InChIKey is UIBMFGZVKSYOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-20-10-6-5-9-18(20)24-15-13-23(14-16-24)12-11-19(27-21(22)25)17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H2,22,25).
What are the key properties of [3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
[3-[4-(2-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-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is sourced from PubChem (CID 67282756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).