N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide

C23H25N3O4 — CID 66644739

IUPACN-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide
SMILESNC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C23H25N3O4/c24-22(29)21(28)18(14-16-8-3-1-4-9-16)25-23(30)19-12-7-13-20(27)26(19)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H2,24,29)(H,25,30)/t18-,19?/m1/s1
InChIKeyABLVWTPXLXMUKK-MRTLOADZSA-N
MW407.47 g/mol
LogP1.35
Rot. Bonds8

About N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide

N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide (PubChem CID 66644739) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide
PubChem CID66644739
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide
SMILESNC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C23H25N3O4/c24-22(29)21(28)18(14-16-8-3-1-4-9-16)25-23(30)19-12-7-13-20(27)26(19)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H2,24,29)(H,25,30)/t18-,19?/m1/s1
InChIKeyABLVWTPXLXMUKK-MRTLOADZSA-N
XLogP1.35
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 12043818
(2S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 66645053
1-benzyl-N-[3,4-dioxo-1-phenyl-4-(propan-2-yloxyamino)butan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 53257551
(2S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 66644849
(2R)-1-benzyl-N-[3,4-dioxo-1-phenyl-4-(2-phenylethylamino)butan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 67094975
4-[(2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-methoxy-3-oxopropyl]benzoic acid
CID 102022444
(2S)-1-benzyl-N-[3,4-dioxo-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 67095395
(2S)-1-benzyl-N-[4-[methyl(oxolan-2-yl)amino]-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 67095225
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
(2R)-1-benzyl-N-[3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 67094848
(2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-(4-nitrophenyl)propanoic acid
CID 21349552
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide (CID 66644739) is N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide is NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide?
The InChIKey is ABLVWTPXLXMUKK-MRTLOADZSA-N. The full InChI is InChI=1S/C23H25N3O4/c24-22(29)21(28)18(14-16-8-3-1-4-9-16)25-23(30)19-12-7-13-20(27)26(19)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H2,24,29)(H,25,30)/t18-,19?/m1/s1.
What are the key properties of N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide?
N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 66644739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).