N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide

C16H23N3O2 — CID 42890543

IUPACN-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2CCCCC2C)c1
InChIInChI=1S/C16H23N3O2/c1-12-6-3-4-9-19(12)11-15(20)18-14-8-5-7-13(10-14)16(21)17-2/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyIDMHMLJQYDULMC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.86
Rot. Bonds4

About N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide

N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide (PubChem CID 42890543) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
PubChem CID42890543
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2CCCCC2C)c1
InChIInChI=1S/C16H23N3O2/c1-12-6-3-4-9-19(12)11-15(20)18-14-8-5-7-13(10-14)16(21)17-2/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyIDMHMLJQYDULMC-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 24709451
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide (CID 42890543) is N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)CN2CCCCC2C)c1.
What is the InChIKey of N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide?
The InChIKey is IDMHMLJQYDULMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-3-4-9-19(12)11-15(20)18-14-8-5-7-13(10-14)16(21)17-2/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide?
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 42890543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).