6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide

C15H23N3O3 — CID 176889456

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NC1CCNCC1
InChIInChI=1S/C15H23N3O3/c19-13(17-12-7-9-16-10-8-12)4-2-1-3-11-18-14(20)5-6-15(18)21/h5-6,12,16H,1-4,7-11H2,(H,17,19)
InChIKeyVOVOEFKVOCGTOK-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.34
Rot. Bonds7

About 6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide

6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide (PubChem CID 176889456) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide
PubChem CID176889456
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NC1CCNCC1
InChIInChI=1S/C15H23N3O3/c19-13(17-12-7-9-16-10-8-12)4-2-1-3-11-18-14(20)5-6-15(18)21/h5-6,12,16H,1-4,7-11H2,(H,17,19)
InChIKeyVOVOEFKVOCGTOK-UHFFFAOYSA-N
XLogP0.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide (CID 176889456) is 6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide is O=C(CCCCCN1C(=O)C=CC1=O)NC1CCNCC1.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide?
The InChIKey is VOVOEFKVOCGTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-13(17-12-7-9-16-10-8-12)4-2-1-3-11-18-14(20)5-6-15(18)21/h5-6,12,16H,1-4,7-11H2,(H,17,19).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide has a molecular weight of 293.37 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide is sourced from PubChem (CID 176889456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).