N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

C22H28N2O — CID 93490429

IUPACN-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1
InChIInChI=1S/C22H28N2O/c1-16-5-4-10-24(14-16)15-19-6-8-20(9-7-19)22(25)23-21-12-17(2)11-18(3)13-21/h6-9,11-13,16H,4-5,10,14-15H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyOALNMMPQVXIGTI-INIZCTEOSA-N
MW336.48 g/mol
LogP4.79
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 93490429) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID93490429
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1
InChIInChI=1S/C22H28N2O/c1-16-5-4-10-24(14-16)15-19-6-8-20(9-7-19)22(25)23-21-12-17(2)11-18(3)13-21/h6-9,11-13,16H,4-5,10,14-15H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyOALNMMPQVXIGTI-INIZCTEOSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.79
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-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92683111
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-nitrophenyl)benzamide
CID 93491882
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99950141
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (CID 93490429) is N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is Cc1cc(C)cc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is OALNMMPQVXIGTI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16-5-4-10-24(14-16)15-19-6-8-20(9-7-19)22(25)23-21-12-17(2)11-18(3)13-21/h6-9,11-13,16H,4-5,10,14-15H2,1-3H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide has a molecular weight of 336.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 93490429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).