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

C20H24N2O2 — CID 59838145

IUPAC(4-methylpiperidin-4-yl) N-benzhydrylcarbamate
SMILESCC1(OC(=O)NC(c2ccccc2)c2ccccc2)CCNCC1
InChIInChI=1S/C20H24N2O2/c1-20(12-14-21-15-13-20)24-19(23)22-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,21H,12-15H2,1H3,(H,22,23)
InChIKeyFKQJGLMSLPTEIT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.64
Rot. Bonds4

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

(4-methylpiperidin-4-yl) N-benzhydrylcarbamate (PubChem CID 59838145) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4-methylpiperidin-4-yl) N-benzhydrylcarbamate.

Molecular Properties

Compound Name(4-methylpiperidin-4-yl) N-benzhydrylcarbamate
PubChem CID59838145
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(4-methylpiperidin-4-yl) N-benzhydrylcarbamate
SMILESCC1(OC(=O)NC(c2ccccc2)c2ccccc2)CCNCC1
InChIInChI=1S/C20H24N2O2/c1-20(12-14-21-15-13-20)24-19(23)22-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,21H,12-15H2,1H3,(H,22,23)
InChIKeyFKQJGLMSLPTEIT-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-4-yl) N-benzhydrylcarbamate?
The IUPAC name of (4-methylpiperidin-4-yl) N-benzhydrylcarbamate (CID 59838145) is (4-methylpiperidin-4-yl) N-benzhydrylcarbamate.
What is the SMILES notation for (4-methylpiperidin-4-yl) N-benzhydrylcarbamate?
The canonical SMILES for (4-methylpiperidin-4-yl) N-benzhydrylcarbamate is CC1(OC(=O)NC(c2ccccc2)c2ccccc2)CCNCC1.
What is the InChIKey of (4-methylpiperidin-4-yl) N-benzhydrylcarbamate?
The InChIKey is FKQJGLMSLPTEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(12-14-21-15-13-20)24-19(23)22-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,21H,12-15H2,1H3,(H,22,23).
What are the key properties of (4-methylpiperidin-4-yl) N-benzhydrylcarbamate?
(4-methylpiperidin-4-yl) N-benzhydrylcarbamate has a molecular weight of 324.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-4-yl) N-benzhydrylcarbamate is sourced from PubChem (CID 59838145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).