benzyl N-(1-benzylpiperidin-4-yl)carbamate

C20H24N2O2 — CID 10687441

IUPACbenzyl N-(1-benzylpiperidin-4-yl)carbamate
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C20H24N2O2/c23-20(24-16-18-9-5-2-6-10-18)21-19-11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,21,23)
InChIKeyVZHJWMOVSNSVSX-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.58
Rot. Bonds5

About benzyl N-(1-benzylpiperidin-4-yl)carbamate

benzyl N-(1-benzylpiperidin-4-yl)carbamate (PubChem CID 10687441) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is benzyl N-(1-benzylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-benzylpiperidin-4-yl)carbamate
PubChem CID10687441
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namebenzyl N-(1-benzylpiperidin-4-yl)carbamate
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C20H24N2O2/c23-20(24-16-18-9-5-2-6-10-18)21-19-11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,21,23)
InChIKeyVZHJWMOVSNSVSX-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-benzylpiperidin-4-yl)carbamate?
The IUPAC name of benzyl N-(1-benzylpiperidin-4-yl)carbamate (CID 10687441) is benzyl N-(1-benzylpiperidin-4-yl)carbamate.
What is the SMILES notation for benzyl N-(1-benzylpiperidin-4-yl)carbamate?
The canonical SMILES for benzyl N-(1-benzylpiperidin-4-yl)carbamate is O=C(NC1CCN(Cc2ccccc2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-benzylpiperidin-4-yl)carbamate?
The InChIKey is VZHJWMOVSNSVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(24-16-18-9-5-2-6-10-18)21-19-11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,21,23).
What are the key properties of benzyl N-(1-benzylpiperidin-4-yl)carbamate?
benzyl N-(1-benzylpiperidin-4-yl)carbamate has a molecular weight of 324.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-benzylpiperidin-4-yl)carbamate is sourced from PubChem (CID 10687441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).