1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide

C16H26N4O3 — CID 586837

IUPAC1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCN1C(=O)CC(N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O
InChIInChI=1S/C16H26N4O3/c1-18-13(21)11-12(14(18)22)19-9-5-16(6-10-19,15(17)23)20-7-3-2-4-8-20/h12H,2-11H2,1H3,(H2,17,23)
InChIKeyHJGDEHOGKDNHRY-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.45
Rot. Bonds3

About 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide

1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 586837) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID586837
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCN1C(=O)CC(N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O
InChIInChI=1S/C16H26N4O3/c1-18-13(21)11-12(14(18)22)19-9-5-16(6-10-19,15(17)23)20-7-3-2-4-8-20/h12H,2-11H2,1H3,(H2,17,23)
InChIKeyHJGDEHOGKDNHRY-UHFFFAOYSA-N
XLogP-0.45
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide (CID 586837) is 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide is CN1C(=O)CC(N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O.
What is the InChIKey of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is HJGDEHOGKDNHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-18-13(21)11-12(14(18)22)19-9-5-16(6-10-19,15(17)23)20-7-3-2-4-8-20/h12H,2-11H2,1H3,(H2,17,23).
What are the key properties of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide?
1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 586837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).