2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide

C18H25N3O3 — CID 95327251

IUPAC2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCCCC1=O
InChIInChI=1S/C18H25N3O3/c1-12(2)19-18(24)14-8-4-5-9-15(14)20-17(23)13(3)21-11-7-6-10-16(21)22/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,19,24)(H,20,23)/t13-/m1/s1
InChIKeyLGUDFEKBADKGPF-CYBMUJFWSA-N
MW331.42 g/mol
LogP2.16
Rot. Bonds5

About 2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide

2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 95327251) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide
PubChem CID95327251
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCCCC1=O
InChIInChI=1S/C18H25N3O3/c1-12(2)19-18(24)14-8-4-5-9-15(14)20-17(23)13(3)21-11-7-6-10-16(21)22/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,19,24)(H,20,23)/t13-/m1/s1
InChIKeyLGUDFEKBADKGPF-CYBMUJFWSA-N
XLogP2.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide
CID 102553027
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 92555087
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40976145
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)butanoyl]amino]-N-propan-2-ylbenzamide
CID 29057337
1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081472
2-hydroxy-N-[2-(2-oxopiperidin-1-yl)propyl]benzamide
CID 167899513
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 29449322

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide (CID 95327251) is 2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCCCC1=O.
What is the InChIKey of 2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is LGUDFEKBADKGPF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)19-18(24)14-8-4-5-9-15(14)20-17(23)13(3)21-11-7-6-10-16(21)22/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,19,24)(H,20,23)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide?
2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 95327251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).