5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C20H23N3O4 — CID 56743832

IUPAC5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c(=O)[nH]c1C
InChIInChI=1S/C20H23N3O4/c1-12-4-5-17(21-11-12)20(27)6-8-23(9-7-20)19(26)16-10-15(14(3)24)13(2)22-18(16)25/h4-5,10-11,27H,6-9H2,1-3H3,(H,22,25)
InChIKeyNBTKYQKCVUREBS-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.71
Rot. Bonds3

About 5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 56743832) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID56743832
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c(=O)[nH]c1C
InChIInChI=1S/C20H23N3O4/c1-12-4-5-17(21-11-12)20(27)6-8-23(9-7-20)19(26)16-10-15(14(3)24)13(2)22-18(16)25/h4-5,10-11,27H,6-9H2,1-3H3,(H,22,25)
InChIKeyNBTKYQKCVUREBS-UHFFFAOYSA-N
XLogP1.71
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 56743832) is 5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is CC(=O)c1cc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c(=O)[nH]c1C.
What is the InChIKey of 5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is NBTKYQKCVUREBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-12-4-5-17(21-11-12)20(27)6-8-23(9-7-20)19(26)16-10-15(14(3)24)13(2)22-18(16)25/h4-5,10-11,27H,6-9H2,1-3H3,(H,22,25).
What are the key properties of 5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 369.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 56743832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).