(1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate

C24H33N3O2 — CID 11741417

IUPAC(1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C24H33N3O2/c1-3-26(4-2)24(28)29-20-23-19-25(17-21-11-7-5-8-12-21)15-16-27(23)18-22-13-9-6-10-14-22/h5-14,23H,3-4,15-20H2,1-2H3
InChIKeyDIPWPNLTJATONI-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.85
Rot. Bonds8

About (1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate

(1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate (PubChem CID 11741417) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate.

Molecular Properties

Compound Name(1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate
PubChem CID11741417
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C24H33N3O2/c1-3-26(4-2)24(28)29-20-23-19-25(17-21-11-7-5-8-12-21)15-16-27(23)18-22-13-9-6-10-14-22/h5-14,23H,3-4,15-20H2,1-2H3
InChIKeyDIPWPNLTJATONI-UHFFFAOYSA-N
XLogP3.85
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate?
The IUPAC name of (1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate (CID 11741417) is (1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate.
What is the SMILES notation for (1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate?
The canonical SMILES for (1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate is CCN(CC)C(=O)OCC1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of (1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate?
The InChIKey is DIPWPNLTJATONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-3-26(4-2)24(28)29-20-23-19-25(17-21-11-7-5-8-12-21)15-16-27(23)18-22-13-9-6-10-14-22/h5-14,23H,3-4,15-20H2,1-2H3.
What are the key properties of (1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate?
(1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate has a molecular weight of 395.55 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate is sourced from PubChem (CID 11741417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).