4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide

C18H25N3O3 — CID 131943171

IUPAC4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(NC(=O)CN2CCCCC2=O)c1
InChIInChI=1S/C18H25N3O3/c1-3-9-19-18(24)14-8-7-13(2)15(11-14)20-16(22)12-21-10-5-4-6-17(21)23/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyOOHQWCBMHATVIN-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.09
Rot. Bonds6

About 4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide

4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide (PubChem CID 131943171) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide
PubChem CID131943171
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(NC(=O)CN2CCCCC2=O)c1
InChIInChI=1S/C18H25N3O3/c1-3-9-19-18(24)14-8-7-13(2)15(11-14)20-16(22)12-21-10-5-4-6-17(21)23/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyOOHQWCBMHATVIN-UHFFFAOYSA-N
XLogP2.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-(3-oxo-1,4-diazepane-1-carbonyl)phenyl]-2-(2-oxoazepan-1-yl)acetamide
CID 172662124
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
3-[[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 119222971
N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868578
3-(carbamothioylamino)-4-methyl-N-propylbenzamide
CID 169356590
N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 130372707
4-methyl-3-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetyl]amino]-N-phenylbenzamide
CID 78887484
4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 110689860
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propylacetamide
CID 56810104

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide (CID 131943171) is 4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(C)c(NC(=O)CN2CCCCC2=O)c1.
What is the InChIKey of 4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide?
The InChIKey is OOHQWCBMHATVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-9-19-18(24)14-8-7-13(2)15(11-14)20-16(22)12-21-10-5-4-6-17(21)23/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of 4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide?
4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 131943171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).