(1-methylpiperidin-4-yl) N-benzhydrylcarbamate

C20H24N2O2 — CID 10615982

IUPAC(1-methylpiperidin-4-yl) N-benzhydrylcarbamate
SMILESCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-22-14-12-18(13-15-22)24-20(23)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,21,23)
InChIKeyHVXOAXLWUCKPMP-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.60
Rot. Bonds4

About (1-methylpiperidin-4-yl) N-benzhydrylcarbamate

(1-methylpiperidin-4-yl) N-benzhydrylcarbamate (PubChem CID 10615982) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-benzhydrylcarbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-benzhydrylcarbamate
PubChem CID10615982
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(1-methylpiperidin-4-yl) N-benzhydrylcarbamate
SMILESCN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-22-14-12-18(13-15-22)24-20(23)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,21,23)
InChIKeyHVXOAXLWUCKPMP-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-benzhydrylcarbamate?
The IUPAC name of (1-methylpiperidin-4-yl) N-benzhydrylcarbamate (CID 10615982) is (1-methylpiperidin-4-yl) N-benzhydrylcarbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-benzhydrylcarbamate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-benzhydrylcarbamate is CN1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) N-benzhydrylcarbamate?
The InChIKey is HVXOAXLWUCKPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-22-14-12-18(13-15-22)24-20(23)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,21,23).
What are the key properties of (1-methylpiperidin-4-yl) N-benzhydrylcarbamate?
(1-methylpiperidin-4-yl) N-benzhydrylcarbamate has a molecular weight of 324.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) N-benzhydrylcarbamate is sourced from PubChem (CID 10615982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).