(3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide

C23H27FN2O2 — CID 92996817

IUPAC(3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCC(=O)N1C[C@@H](C(=O)N(C)Cc2ccccc2)C[C@@H](c2ccc(F)c(C)c2)C1
InChIInChI=1S/C23H27FN2O2/c1-16-11-19(9-10-22(16)24)20-12-21(15-26(14-20)17(2)27)23(28)25(3)13-18-7-5-4-6-8-18/h4-11,20-21H,12-15H2,1-3H3/t20-,21+/m1/s1
InChIKeyLIUVHOZEFHZYFR-RTWAWAEBSA-N
MW382.48 g/mol
LogP3.74
Rot. Bonds4

About (3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide

(3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 92996817) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID92996817
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name(3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCC(=O)N1C[C@@H](C(=O)N(C)Cc2ccccc2)C[C@@H](c2ccc(F)c(C)c2)C1
InChIInChI=1S/C23H27FN2O2/c1-16-11-19(9-10-22(16)24)20-12-21(15-26(14-20)17(2)27)23(28)25(3)13-18-7-5-4-6-8-18/h4-11,20-21H,12-15H2,1-3H3/t20-,21+/m1/s1
InChIKeyLIUVHOZEFHZYFR-RTWAWAEBSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 71955058
(3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92996611
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
1-[4-[1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866451
N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide
CID 90513547
(3S,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[(1R)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 129420900
(3R,5R)-3-N-(1,3-benzodioxol-5-ylmethyl)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 92997174
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
(3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 92996658
(4-benzylpiperazin-1-yl)-[(3S,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluoro-3-methylphenyl)piperidin-3-yl]methanone
CID 92997394
(4-benzylpiperazin-1-yl)-[(3S,5R)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 92997366
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide (CID 92996817) is (3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide is CC(=O)N1C[C@@H](C(=O)N(C)Cc2ccccc2)C[C@@H](c2ccc(F)c(C)c2)C1.
What is the InChIKey of (3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is LIUVHOZEFHZYFR-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-16-11-19(9-10-22(16)24)20-12-21(15-26(14-20)17(2)27)23(28)25(3)13-18-7-5-4-6-8-18/h4-11,20-21H,12-15H2,1-3H3/t20-,21+/m1/s1.
What are the key properties of (3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
(3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 92996817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).