2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide

C22H25FN2O2 — CID 23723332

IUPAC2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide
SMILESCC(=O)c1ccccc1C(=O)N(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H25FN2O2/c1-16(26)19-10-4-5-11-20(19)22(27)24(2)18-9-7-13-25(15-18)14-17-8-3-6-12-21(17)23/h3-6,8,10-12,18H,7,9,13-15H2,1-2H3
InChIKeyBWAUSGXSTIMYGA-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.76
Rot. Bonds5

About 2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide

2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide (PubChem CID 23723332) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide
PubChem CID23723332
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide
SMILESCC(=O)c1ccccc1C(=O)N(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H25FN2O2/c1-16(26)19-10-4-5-11-20(19)22(27)24(2)18-9-7-13-25(15-18)14-17-8-3-6-12-21(17)23/h3-6,8,10-12,18H,7,9,13-15H2,1-2H3
InChIKeyBWAUSGXSTIMYGA-UHFFFAOYSA-N
XLogP3.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N,N'-dibenzoylpiperazine
CID 80185
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N,N',N'-Tetraethylphthalamide
CID 66526
Pyrrolidine, 1-(o-benzoylbenzoyl)-
CID 208220
4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428
2-Benzylisoquinoline-1,3,4-trione
CID 11357566
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
Morpholine, 4-(o-benzoylbenzoyl)
CID 208217
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide?
The IUPAC name of 2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide (CID 23723332) is 2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide?
The canonical SMILES for 2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide is CC(=O)c1ccccc1C(=O)N(C)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide?
The InChIKey is BWAUSGXSTIMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16(26)19-10-4-5-11-20(19)22(27)24(2)18-9-7-13-25(15-18)14-17-8-3-6-12-21(17)23/h3-6,8,10-12,18H,7,9,13-15H2,1-2H3.
What are the key properties of 2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide?
2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide has a molecular weight of 368.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 23723332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).