N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide

C22H28N2O — CID 93490404

IUPACN-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C22H28N2O/c1-16-6-5-13-24(14-16)15-19-9-11-20(12-10-19)22(25)23-21-17(2)7-4-8-18(21)3/h4,7-12,16H,5-6,13-15H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyIBVLBBLDMRFUFE-MRXNPFEDSA-N
MW336.48 g/mol
LogP4.79
Rot. Bonds4

About N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide

N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 93490404) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID93490404
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C22H28N2O/c1-16-6-5-13-24(14-16)15-19-9-11-20(12-10-19)22(25)23-21-17(2)7-4-8-18(21)3/h4,7-12,16H,5-6,13-15H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyIBVLBBLDMRFUFE-MRXNPFEDSA-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-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-nitrophenyl)benzamide
CID 93491882
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
N-[1-(2-methylphenoxy)propan-2-yl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46765429
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-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide
CID 93490121

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide (CID 93490404) is N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide is Cc1cccc(C)c1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is IBVLBBLDMRFUFE-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16-6-5-13-24(14-16)15-19-9-11-20(12-10-19)22(25)23-21-17(2)7-4-8-18(21)3/h4,7-12,16H,5-6,13-15H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
N-(2,6-dimethylphenyl)-4-[[(3R)-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-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 93490404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).