N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide

C23H29FN2O2 — CID 23723644

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccccc1CCC(=O)N(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C23H29FN2O2/c1-25(23(27)14-13-18-8-4-6-12-22(18)28-2)20-10-7-15-26(17-20)16-19-9-3-5-11-21(19)24/h3-6,8-9,11-12,20H,7,10,13-17H2,1-2H3
InChIKeyMAGJQLRBUBVCIG-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.89
Rot. Bonds7

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide (PubChem CID 23723644) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide
PubChem CID23723644
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccccc1CCC(=O)N(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C23H29FN2O2/c1-25(23(27)14-13-18-8-4-6-12-22(18)28-2)20-10-7-15-26(17-20)16-19-9-3-5-11-21(19)24/h3-6,8-9,11-12,20H,7,10,13-17H2,1-2H3
InChIKeyMAGJQLRBUBVCIG-UHFFFAOYSA-N
XLogP3.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide 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 N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide (CID 23723644) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide is COc1ccccc1CCC(=O)N(C)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The InChIKey is MAGJQLRBUBVCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-25(23(27)14-13-18-8-4-6-12-22(18)28-2)20-10-7-15-26(17-20)16-19-9-3-5-11-21(19)24/h3-6,8-9,11-12,20H,7,10,13-17H2,1-2H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide has a molecular weight of 384.50 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 23723644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).