propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate

C23H27FN2O2 — CID 23383835

IUPACpropan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate
SMILESCC(C)OC(=O)N(C)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1
InChIInChI=1S/C23H27FN2O2/c1-16(2)28-23(27)26(3)21-9-7-17(8-10-21)22(18-11-13-25-14-12-18)19-5-4-6-20(24)15-19/h4-10,15-16,25H,11-14H2,1-3H3
InChIKeyATJJFQZHNYXYPL-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.99
Rot. Bonds4

About propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate

propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate (PubChem CID 23383835) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate
PubChem CID23383835
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Namepropan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate
SMILESCC(C)OC(=O)N(C)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1
InChIInChI=1S/C23H27FN2O2/c1-16(2)28-23(27)26(3)21-9-7-17(8-10-21)22(18-11-13-25-14-12-18)19-5-4-6-20(24)15-19/h4-10,15-16,25H,11-14H2,1-3H3
InChIKeyATJJFQZHNYXYPL-UHFFFAOYSA-N
XLogP4.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate?
The IUPAC name of propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate (CID 23383835) is propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate.
What is the SMILES notation for propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate?
The canonical SMILES for propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate is CC(C)OC(=O)N(C)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1.
What is the InChIKey of propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate?
The InChIKey is ATJJFQZHNYXYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-16(2)28-23(27)26(3)21-9-7-17(8-10-21)22(18-11-13-25-14-12-18)19-5-4-6-20(24)15-19/h4-10,15-16,25H,11-14H2,1-3H3.
What are the key properties of propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate?
propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate has a molecular weight of 382.48 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 23383835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).