2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

C19H25N3O2 — CID 56760072

IUPAC2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1ccc(C2(O)CCN(Cc3[nH]cc(C)c(=O)c3C)CC2)nc1
InChIInChI=1S/C19H25N3O2/c1-13-4-5-17(21-10-13)19(24)6-8-22(9-7-19)12-16-15(3)18(23)14(2)11-20-16/h4-5,10-11,24H,6-9,12H2,1-3H3,(H,20,23)
InChIKeyNVQKQSKUXRVBGM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.18
Rot. Bonds3

About 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 56760072) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
PubChem CID56760072
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1ccc(C2(O)CCN(Cc3[nH]cc(C)c(=O)c3C)CC2)nc1
InChIInChI=1S/C19H25N3O2/c1-13-4-5-17(21-10-13)19(24)6-8-22(9-7-19)12-16-15(3)18(23)14(2)11-20-16/h4-5,10-11,24H,6-9,12H2,1-3H3,(H,20,23)
InChIKeyNVQKQSKUXRVBGM-UHFFFAOYSA-N
XLogP2.18
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (CID 56760072) is 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is Cc1ccc(C2(O)CCN(Cc3[nH]cc(C)c(=O)c3C)CC2)nc1.
What is the InChIKey of 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is NVQKQSKUXRVBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-4-5-17(21-10-13)19(24)6-8-22(9-7-19)12-16-15(3)18(23)14(2)11-20-16/h4-5,10-11,24H,6-9,12H2,1-3H3,(H,20,23).
What are the key properties of 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 327.43 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 56760072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).