4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide

C19H29N3O2 — CID 120601242

IUPAC4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)CCN1
InChIInChI=1S/C19H29N3O2/c1-13(2)19(24)22(4)12-15-5-7-16(8-6-15)18(23)21-17-9-10-20-14(3)11-17/h5-8,13-14,17,20H,9-12H2,1-4H3,(H,21,23)
InChIKeyFMDRDAZFBQMIOU-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.17
Rot. Bonds5

About 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide

4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 120601242) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID120601242
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)CCN1
InChIInChI=1S/C19H29N3O2/c1-13(2)19(24)22(4)12-15-5-7-16(8-6-15)18(23)21-17-9-10-20-14(3)11-17/h5-8,13-14,17,20H,9-12H2,1-4H3,(H,21,23)
InChIKeyFMDRDAZFBQMIOU-UHFFFAOYSA-N
XLogP2.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598414
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 120618816
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 120600958
N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 120602047
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
4-[2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]ethyl]benzoic acid
CID 120513002
N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide
CID 120599207
N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide (CID 120601242) is 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide is CC1CC(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)CCN1.
What is the InChIKey of 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is FMDRDAZFBQMIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)19(24)22(4)12-15-5-7-16(8-6-15)18(23)21-17-9-10-20-14(3)11-17/h5-8,13-14,17,20H,9-12H2,1-4H3,(H,21,23).
What are the key properties of 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide?
4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 331.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120601242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).