4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide

C22H25FN2O2 — CID 42286302

IUPAC4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide
SMILESCc1ccccc1CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H25FN2O2/c1-16-5-2-3-7-19(16)13-21(26)25-12-4-6-17(15-25)14-24-22(27)18-8-10-20(23)11-9-18/h2-3,5,7-11,17H,4,6,12-15H2,1H3,(H,24,27)/t17-/m0/s1
InChIKeyGYEKMEPLVZEKCD-KRWDZBQOSA-N
MW368.45 g/mol
LogP3.35
Rot. Bonds5

About 4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide

4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide (PubChem CID 42286302) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide
PubChem CID42286302
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide
SMILESCc1ccccc1CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H25FN2O2/c1-16-5-2-3-7-19(16)13-21(26)25-12-4-6-17(15-25)14-24-22(27)18-8-10-20(23)11-9-18/h2-3,5,7-11,17H,4,6,12-15H2,1H3,(H,24,27)/t17-/m0/s1
InChIKeyGYEKMEPLVZEKCD-KRWDZBQOSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544
N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 26323586
4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide
CID 25479373
4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42592562
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
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-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide
CID 42210535
N-[[(3R)-1-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide
CID 136831912
4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
CID 42356810
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methylphenyl)ethanone
CID 110798390
N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide (CID 42286302) is 4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide is Cc1ccccc1CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is GYEKMEPLVZEKCD-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16-5-2-3-7-19(16)13-21(26)25-12-4-6-17(15-25)14-24-22(27)18-8-10-20(23)11-9-18/h2-3,5,7-11,17H,4,6,12-15H2,1H3,(H,24,27)/t17-/m0/s1.
What are the key properties of 4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide?
4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 368.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 42286302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).