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

C17H24N4O4 — CID 138731157

IUPACN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide
SMILESCC(C)C(NC(=O)CCc1ccc[nH]1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C17H24N4O4/c1-10(2)14(21-13(22)6-5-11-4-3-8-18-11)16(24)20-12-7-9-19-17(25)15(12)23/h3-4,8,10,12,14,18H,5-7,9H2,1-2H3,(H,19,25)(H,20,24)(H,21,22)
InChIKeyJTHIJNBJQJNYJC-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.34
Rot. Bonds7

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

N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide (PubChem CID 138731157) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide.

Molecular Properties

Compound NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide
PubChem CID138731157
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide
SMILESCC(C)C(NC(=O)CCc1ccc[nH]1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C17H24N4O4/c1-10(2)14(21-13(22)6-5-11-4-3-8-18-11)16(24)20-12-7-9-19-17(25)15(12)23/h3-4,8,10,12,14,18H,5-7,9H2,1-2H3,(H,19,25)(H,20,24)(H,21,22)
InChIKeyJTHIJNBJQJNYJC-UHFFFAOYSA-N
XLogP-0.34
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide?
The IUPAC name of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide (CID 138731157) is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide.
What is the SMILES notation for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide?
The canonical SMILES for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide is CC(C)C(NC(=O)CCc1ccc[nH]1)C(=O)NC1CCNC(=O)C1=O.
What is the InChIKey of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide?
The InChIKey is JTHIJNBJQJNYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-10(2)14(21-13(22)6-5-11-4-3-8-18-11)16(24)20-12-7-9-19-17(25)15(12)23/h3-4,8,10,12,14,18H,5-7,9H2,1-2H3,(H,19,25)(H,20,24)(H,21,22).
What are the key properties of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide?
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide has a molecular weight of 348.40 g/mol, XLogP of -0.34, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[3-(1H-pyrrol-2-yl)propanoylamino]butanamide is sourced from PubChem (CID 138731157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).