3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide

C24H29FN2O2 — CID 45191137

IUPAC3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCC(=O)c1cccc(CN2CCCC(CCC(=O)Nc3ccc(F)cc3C)C2)c1
InChIInChI=1S/C24H29FN2O2/c1-17-13-22(25)9-10-23(17)26-24(29)11-8-19-6-4-12-27(15-19)16-20-5-3-7-21(14-20)18(2)28/h3,5,7,9-10,13-14,19H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)
InChIKeyWLMQEZPKFYCXIM-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.97
Rot. Bonds7

About 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide

3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide (PubChem CID 45191137) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
PubChem CID45191137
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCC(=O)c1cccc(CN2CCCC(CCC(=O)Nc3ccc(F)cc3C)C2)c1
InChIInChI=1S/C24H29FN2O2/c1-17-13-22(25)9-10-23(17)26-24(29)11-8-19-6-4-12-27(15-19)16-20-5-3-7-21(14-20)18(2)28/h3,5,7,9-10,13-14,19H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)
InChIKeyWLMQEZPKFYCXIM-UHFFFAOYSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 25364986
3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 97275001
3-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 42286411
3-[1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45179339
3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42195090
3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45241928
3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 25302828
3-[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 26410657
N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide
CID 97269258
N-(2-fluorophenyl)-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 42415624
N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 45187738
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
CID 26411235

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide (CID 45191137) is 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide is CC(=O)c1cccc(CN2CCCC(CCC(=O)Nc3ccc(F)cc3C)C2)c1.
What is the InChIKey of 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The InChIKey is WLMQEZPKFYCXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-17-13-22(25)9-10-23(17)26-24(29)11-8-19-6-4-12-27(15-19)16-20-5-3-7-21(14-20)18(2)28/h3,5,7,9-10,13-14,19H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29).
What are the key properties of 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide has a molecular weight of 396.51 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 45191137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).