6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

C18H28N4O2 — CID 120994468

IUPAC6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCC(N3CCNCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H28N4O2/c1-13(2)9-15-10-14(11-17(23)20-15)18(24)22-6-3-16(12-22)21-7-4-19-5-8-21/h10-11,13,16,19H,3-9,12H2,1-2H3,(H,20,23)
InChIKeyXTXYQZBINKFQLE-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.69
Rot. Bonds4

About 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 120994468) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID120994468
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCC(N3CCNCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H28N4O2/c1-13(2)9-15-10-14(11-17(23)20-15)18(24)22-6-3-16(12-22)21-7-4-19-5-8-21/h10-11,13,16,19H,3-9,12H2,1-2H3,(H,20,23)
InChIKeyXTXYQZBINKFQLE-UHFFFAOYSA-N
XLogP0.69
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (CID 120994468) is 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is CC(C)Cc1cc(C(=O)N2CCC(N3CCNCC3)C2)cc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is XTXYQZBINKFQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)9-15-10-14(11-17(23)20-15)18(24)22-6-3-16(12-22)21-7-4-19-5-8-21/h10-11,13,16,19H,3-9,12H2,1-2H3,(H,20,23).
What are the key properties of 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 332.45 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 120994468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).