4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide

C21H23FN2O2S — CID 42592562

IUPAC4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
SMILESCSc1ccccc1C(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H23FN2O2S/c1-27-19-7-3-2-6-18(19)21(26)24-12-4-5-15(14-24)13-23-20(25)16-8-10-17(22)11-9-16/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyIHALWINIQVXHPD-OAHLLOKOSA-N
MW386.49 g/mol
LogP3.83
Rot. Bonds5

About 4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide

4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide (PubChem CID 42592562) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is 4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
PubChem CID42592562
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC Name4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
SMILESCSc1ccccc1C(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H23FN2O2S/c1-27-19-7-3-2-6-18(19)21(26)24-12-4-5-15(14-24)13-23-20(25)16-8-10-17(22)11-9-16/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyIHALWINIQVXHPD-OAHLLOKOSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45224813
2-chloro-N-[[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42594765
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
[3-(aminomethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 79217119
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide
CID 42286302
[3-(2-bromoethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 80670099
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363
N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide (CID 42592562) is 4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide is CSc1ccccc1C(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is IHALWINIQVXHPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c1-27-19-7-3-2-6-18(19)21(26)24-12-4-5-15(14-24)13-23-20(25)16-8-10-17(22)11-9-16/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide?
4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 386.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 42592562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).