(1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate

C21H25FN2O2 — CID 155520267

IUPAC(1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate
SMILESCN1CCCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1
InChIInChI=1S/C21H25FN2O2/c1-23-14-5-8-20(16-23)26-21(25)24(19-6-3-2-4-7-19)15-13-17-9-11-18(22)12-10-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3
InChIKeyKHLGLAZJVORACT-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.11
Rot. Bonds5

About (1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate

(1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate (PubChem CID 155520267) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate
PubChem CID155520267
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate
SMILESCN1CCCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1
InChIInChI=1S/C21H25FN2O2/c1-23-14-5-8-20(16-23)26-21(25)24(19-6-3-2-4-7-19)15-13-17-9-11-18(22)12-10-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3
InChIKeyKHLGLAZJVORACT-UHFFFAOYSA-N
XLogP4.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate?
The IUPAC name of (1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate (CID 155520267) is (1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate.
What is the SMILES notation for (1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate?
The canonical SMILES for (1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate is CN1CCCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1.
What is the InChIKey of (1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate?
The InChIKey is KHLGLAZJVORACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-23-14-5-8-20(16-23)26-21(25)24(19-6-3-2-4-7-19)15-13-17-9-11-18(22)12-10-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3.
What are the key properties of (1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate?
(1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate has a molecular weight of 356.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate is sourced from PubChem (CID 155520267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).