3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide

C23H29FN2O2 — CID 86954890

IUPAC3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
SMILESCOc1ccc(C2C(CNC(=O)CCc3ccc(F)cc3)CCCN2C)cc1
InChIInChI=1S/C23H29FN2O2/c1-26-15-3-4-19(23(26)18-8-12-21(28-2)13-9-18)16-25-22(27)14-7-17-5-10-20(24)11-6-17/h5-6,8-13,19,23H,3-4,7,14-16H2,1-2H3,(H,25,27)
InChIKeyBMJGGGQPYRSJSV-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.97
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide

3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide (PubChem CID 86954890) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
PubChem CID86954890
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
SMILESCOc1ccc(C2C(CNC(=O)CCc3ccc(F)cc3)CCCN2C)cc1
InChIInChI=1S/C23H29FN2O2/c1-26-15-3-4-19(23(26)18-8-12-21(28-2)13-9-18)16-25-22(27)14-7-17-5-10-20(24)11-6-17/h5-6,8-13,19,23H,3-4,7,14-16H2,1-2H3,(H,25,27)
InChIKeyBMJGGGQPYRSJSV-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 86955004
N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide
CID 86954895
1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
CID 86954919
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954997
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954866
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 86954987
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
CID 86954874
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
1-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 86954875
2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86954891

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide (CID 86954890) is 3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide is COc1ccc(C2C(CNC(=O)CCc3ccc(F)cc3)CCCN2C)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide?
The InChIKey is BMJGGGQPYRSJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-26-15-3-4-19(23(26)18-8-12-21(28-2)13-9-18)16-25-22(27)14-7-17-5-10-20(24)11-6-17/h5-6,8-13,19,23H,3-4,7,14-16H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide?
3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide has a molecular weight of 384.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 86954890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).