2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide

C21H26N2O — CID 95207411

IUPAC2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
SMILESCc1ccccc1-c1ccccc1C(=O)NC[C@H]1CCCN(C)C1
InChIInChI=1S/C21H26N2O/c1-16-8-3-4-10-18(16)19-11-5-6-12-20(19)21(24)22-14-17-9-7-13-23(2)15-17/h3-6,8,10-12,17H,7,9,13-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyWTULYTLDLHBBGN-QGZVFWFLSA-N
MW322.45 g/mol
LogP3.73
Rot. Bonds4

About 2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide

2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide (PubChem CID 95207411) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
PubChem CID95207411
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
SMILESCc1ccccc1-c1ccccc1C(=O)NC[C@H]1CCCN(C)C1
InChIInChI=1S/C21H26N2O/c1-16-8-3-4-10-18(16)19-11-5-6-12-20(19)21(24)22-14-17-9-7-13-23(2)15-17/h3-6,8,10-12,17H,7,9,13-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyWTULYTLDLHBBGN-QGZVFWFLSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
CID 95210574
2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95208865
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56723308
2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95213688
4-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243360
2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 103765330
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide
CID 122159096

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide (CID 95207411) is 2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide is Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1CCCN(C)C1.
What is the InChIKey of 2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide?
The InChIKey is WTULYTLDLHBBGN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-8-3-4-10-18(16)19-11-5-6-12-20(19)21(24)22-14-17-9-7-13-23(2)15-17/h3-6,8,10-12,17H,7,9,13-15H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide?
2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide has a molecular weight of 322.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95207411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).