5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide

C13H21N3O3 — CID 176669671

IUPAC5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide
SMILESC=C1CCC(NC(=O)CCCCNC(C)=O)C(=O)N1
InChIInChI=1S/C13H21N3O3/c1-9-6-7-11(13(19)15-9)16-12(18)5-3-4-8-14-10(2)17/h11H,1,3-8H2,2H3,(H,14,17)(H,15,19)(H,16,18)
InChIKeyGYPOINLWDMATJG-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.20
Rot. Bonds6

About 5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide

5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide (PubChem CID 176669671) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide.

Molecular Properties

Compound Name5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide
PubChem CID176669671
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide
SMILESC=C1CCC(NC(=O)CCCCNC(C)=O)C(=O)N1
InChIInChI=1S/C13H21N3O3/c1-9-6-7-11(13(19)15-9)16-12(18)5-3-4-8-14-10(2)17/h11H,1,3-8H2,2H3,(H,14,17)(H,15,19)(H,16,18)
InChIKeyGYPOINLWDMATJG-UHFFFAOYSA-N
XLogP0.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(2,6-dioxopiperidin-3-yl)pent-4-enamide
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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide?
The IUPAC name of 5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide (CID 176669671) is 5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide.
What is the SMILES notation for 5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide?
The canonical SMILES for 5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide is C=C1CCC(NC(=O)CCCCNC(C)=O)C(=O)N1.
What is the InChIKey of 5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide?
The InChIKey is GYPOINLWDMATJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-6-7-11(13(19)15-9)16-12(18)5-3-4-8-14-10(2)17/h11H,1,3-8H2,2H3,(H,14,17)(H,15,19)(H,16,18).
What are the key properties of 5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide?
5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide has a molecular weight of 267.33 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide is sourced from PubChem (CID 176669671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).