N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide

C17H22N4O5 — CID 138730316

IUPACN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide
SMILESCC(C)C(NC(=O)C(=O)Cc1cc[nH]c1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C17H22N4O5/c1-9(2)13(16(25)20-11-4-6-19-17(26)14(11)23)21-15(24)12(22)7-10-3-5-18-8-10/h3,5,8-9,11,13,18H,4,6-7H2,1-2H3,(H,19,26)(H,20,25)(H,21,24)
InChIKeyNXVLMEBMTPDHDQ-UHFFFAOYSA-N
MW362.39 g/mol
LogP-1.16
Rot. Bonds7

About N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide

N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide (PubChem CID 138730316) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide.

Molecular Properties

Compound NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide
PubChem CID138730316
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide
SMILESCC(C)C(NC(=O)C(=O)Cc1cc[nH]c1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C17H22N4O5/c1-9(2)13(16(25)20-11-4-6-19-17(26)14(11)23)21-15(24)12(22)7-10-3-5-18-8-10/h3,5,8-9,11,13,18H,4,6-7H2,1-2H3,(H,19,26)(H,20,25)(H,21,24)
InChIKeyNXVLMEBMTPDHDQ-UHFFFAOYSA-N
XLogP-1.16
TPSA137.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide
CID 138730757
S-benzyl 2-[[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethanethioate
CID 138730780
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide
CID 138731157
[1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 130408101
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide
CID 138731150
2-(1-benzofuran-3-ylmethylcarbamoylamino)-N-(2,3-dioxopiperidin-4-yl)-3-methylbutanamide
CID 138730517
N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide
CID 138731723
benzyl N-[(2S)-1-[(2,3-dioxoazepan-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130420335
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide
CID 138730794
2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate
CID 138730226
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide
CID 138730234
2,2-dimethylpropyl N-[1-[(7,8-dioxo-1-oxa-6-azacyclododec-9-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138730799

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide?
The IUPAC name of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide (CID 138730316) is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide.
What is the SMILES notation for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide?
The canonical SMILES for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide is CC(C)C(NC(=O)C(=O)Cc1cc[nH]c1)C(=O)NC1CCNC(=O)C1=O.
What is the InChIKey of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide?
The InChIKey is NXVLMEBMTPDHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-9(2)13(16(25)20-11-4-6-19-17(26)14(11)23)21-15(24)12(22)7-10-3-5-18-8-10/h3,5,8-9,11,13,18H,4,6-7H2,1-2H3,(H,19,26)(H,20,25)(H,21,24).
What are the key properties of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide?
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide has a molecular weight of 362.39 g/mol, XLogP of -1.16, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide is sourced from PubChem (CID 138730316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).