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

C21H25FN2O2 — CID 155535972

IUPAC(1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate
SMILESCN1CCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C21H25FN2O2/c1-23-14-12-20(13-15-23)26-21(25)24(19-5-3-2-4-6-19)16-11-17-7-9-18(22)10-8-17/h2-10,20H,11-16H2,1H3
InChIKeyWMPSFVBNWOMJKI-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.11
Rot. Bonds5

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

(1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate (PubChem CID 155535972) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate
PubChem CID155535972
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate
SMILESCN1CCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C21H25FN2O2/c1-23-14-12-20(13-15-23)26-21(25)24(19-5-3-2-4-6-19)16-11-17-7-9-18(22)10-8-17/h2-10,20H,11-16H2,1H3
InChIKeyWMPSFVBNWOMJKI-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

Analyze (1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate?
The IUPAC name of (1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate (CID 155535972) is (1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate is CN1CCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate?
The InChIKey is WMPSFVBNWOMJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-23-14-12-20(13-15-23)26-21(25)24(19-5-3-2-4-6-19)16-11-17-7-9-18(22)10-8-17/h2-10,20H,11-16H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate?
(1-methylpiperidin-4-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-4-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate is sourced from PubChem (CID 155535972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).