N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide

C20H22F2N2O — CID 53283469

IUPACN-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCCN(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)C1
InChIInChI=1S/C20H22F2N2O/c1-14-3-2-10-24(12-14)13-15-4-6-16(7-5-15)20(25)23-17-8-9-18(21)19(22)11-17/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyCWEGTISRNKPRRT-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.45
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide

N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 53283469) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
PubChem CID53283469
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCCN(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)C1
InChIInChI=1S/C20H22F2N2O/c1-14-3-2-10-24(12-14)13-15-4-6-16(7-5-15)20(25)23-17-8-9-18(21)19(22)11-17/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyCWEGTISRNKPRRT-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92683111
N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109049038
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-nitrophenyl)benzamide
CID 93491882
N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99950141
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide (CID 53283469) is N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide is CC1CCCN(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is CWEGTISRNKPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-14-3-2-10-24(12-14)13-15-4-6-16(7-5-15)20(25)23-17-8-9-18(21)19(22)11-17/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 344.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 53283469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).