3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide

C14H20N2O — CID 124515685

IUPAC3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCCN[C@H]2C)c1
InChIInChI=1S/C14H20N2O/c1-10-5-3-6-12(9-10)14(17)16-13-7-4-8-15-11(13)2/h3,5-6,9,11,13,15H,4,7-8H2,1-2H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyQBNLHOANVIRYRH-AAEUAGOBSA-N
MW232.33 g/mol
LogP1.87
Rot. Bonds2

About 3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide

3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide (PubChem CID 124515685) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
PubChem CID124515685
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCCN[C@H]2C)c1
InChIInChI=1S/C14H20N2O/c1-10-5-3-6-12(9-10)14(17)16-13-7-4-8-15-11(13)2/h3,5-6,9,11,13,15H,4,7-8H2,1-2H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyQBNLHOANVIRYRH-AAEUAGOBSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide
CID 120575680
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574822
N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride
CID 120576039
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 120575116

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide (CID 124515685) is 3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide is Cc1cccc(C(=O)N[C@H]2CCCN[C@H]2C)c1.
What is the InChIKey of 3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide?
The InChIKey is QBNLHOANVIRYRH-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-5-3-6-12(9-10)14(17)16-13-7-4-8-15-11(13)2/h3,5-6,9,11,13,15H,4,7-8H2,1-2H3,(H,16,17)/t11-,13-/m0/s1.
What are the key properties of 3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide?
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide has a molecular weight of 232.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide is sourced from PubChem (CID 124515685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).