4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide

C17H21N3O4 — CID 91631203

IUPAC4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCC2(O)Cc3ccccc3C2)C(=O)C1=O
InChIInChI=1S/C17H21N3O4/c1-2-19-7-8-20(15(22)14(19)21)16(23)18-11-17(24)9-12-5-3-4-6-13(12)10-17/h3-6,24H,2,7-11H2,1H3,(H,18,23)
InChIKeyOPVYCOYCYCZLTR-UHFFFAOYSA-N
MW331.37 g/mol
LogP-0.08
Rot. Bonds3

About 4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide

4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide (PubChem CID 91631203) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide
PubChem CID91631203
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCC2(O)Cc3ccccc3C2)C(=O)C1=O
InChIInChI=1S/C17H21N3O4/c1-2-19-7-8-20(15(22)14(19)21)16(23)18-11-17(24)9-12-5-3-4-6-13(12)10-17/h3-6,24H,2,7-11H2,1H3,(H,18,23)
InChIKeyOPVYCOYCYCZLTR-UHFFFAOYSA-N
XLogP-0.08
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-2-oxoethyl]urea
CID 56917337
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631365
4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one
CID 164631233
N1-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 92125588
3-{2-[(3S*,4R*)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione
CID 56740962
1-{2-[(3S*,4R*)-3-benzyl-4-hydroxy-4-methyl-1-piperidinyl]-2-oxoethyl}-2,4-imidazolidinedione
CID 56903204
3-[2-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-2-oxoethyl]-2,4-imidazolidinedione
CID 72894256
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 90499181
N1-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-N2-(2-morpholinoethyl)oxalamide
CID 90499186
N1-(tert-butyl)-N2-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631229
N1-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-N2-(2-methoxyethyl)oxalamide
CID 91631230
1-(tert-butyl)-3-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631246

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide (CID 91631203) is 4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide is CCN1CCN(C(=O)NCC2(O)Cc3ccccc3C2)C(=O)C1=O.
What is the InChIKey of 4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide?
The InChIKey is OPVYCOYCYCZLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-2-19-7-8-20(15(22)14(19)21)16(23)18-11-17(24)9-12-5-3-4-6-13(12)10-17/h3-6,24H,2,7-11H2,1H3,(H,18,23).
What are the key properties of 4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide?
4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide has a molecular weight of 331.37 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 91631203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).