4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide

C22H27N3O2 — CID 60556119

IUPAC4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C22H27N3O2/c1-16-5-4-12-25(14-16)15-20-7-3-2-6-19(20)13-24-22(27)18-10-8-17(9-11-18)21(23)26/h2-3,6-11,16H,4-5,12-15H2,1H3,(H2,23,26)(H,24,27)
InChIKeyTYHQMTJHANGMDP-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.95
Rot. Bonds6

About 4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide

4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide (PubChem CID 60556119) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
PubChem CID60556119
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C22H27N3O2/c1-16-5-4-12-25(14-16)15-20-7-3-2-6-19(20)13-24-22(27)18-10-8-17(9-11-18)21(23)26/h2-3,6-11,16H,4-5,12-15H2,1H3,(H2,23,26)(H,24,27)
InChIKeyTYHQMTJHANGMDP-UHFFFAOYSA-N
XLogP2.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 51947396
3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119845555
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55713803
N-[(2-methoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283594
2,4-dimethyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714039
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714267
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885078
2-ethylsulfonyl-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 52610752
2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide
CID 55718125

Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide (CID 60556119) is 4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide is CC1CCCN(Cc2ccccc2CNC(=O)c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide?
The InChIKey is TYHQMTJHANGMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-5-4-12-25(14-16)15-20-7-3-2-6-19(20)13-24-22(27)18-10-8-17(9-11-18)21(23)26/h2-3,6-11,16H,4-5,12-15H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of 4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide?
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 60556119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).