1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one

C14H17N3O3 — CID 23162933

IUPAC1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one
SMILESCC1(C)Oc2ccncc2C(N2CCNCC2=O)=C1O
InChIInChI=1S/C14H17N3O3/c1-14(2)13(19)12(17-6-5-16-8-11(17)18)9-7-15-4-3-10(9)20-14/h3-4,7,16,19H,5-6,8H2,1-2H3
InChIKeyICQFMFHPSALRIF-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.91
Rot. Bonds1

About 1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one

1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one (PubChem CID 23162933) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one
PubChem CID23162933
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one
SMILESCC1(C)Oc2ccncc2C(N2CCNCC2=O)=C1O
InChIInChI=1S/C14H17N3O3/c1-14(2)13(19)12(17-6-5-16-8-11(17)18)9-7-15-4-3-10(9)20-14/h3-4,7,16,19H,5-6,8H2,1-2H3
InChIKeyICQFMFHPSALRIF-UHFFFAOYSA-N
XLogP0.91
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2(1H)-Pyridinone, 5-ethyl-3-(((4-methoxy-3-pyridinyl)methyl)amino)-6-methyl-
CID 454365
1-(2,2-Dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one
CID 14403352
1-(2,2-Dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one
CID 14743491
1-(2,2-Dimethylpyrano[3,2-c]pyridin-4-yl)pyrrolidin-2-one
CID 44333837
US11045457, Example 50
CID 146401967
N-[(2S)-3-hydroxy-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 137987700
1-(2,2-Dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one
CID 19864759
1-(2,2-Dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one
CID 23049020
N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide
CID 23049026
3-Amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one
CID 23049030
N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide
CID 23049042
N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide
CID 23049050

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one (CID 23162933) is 1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one is CC1(C)Oc2ccncc2C(N2CCNCC2=O)=C1O.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one?
The InChIKey is ICQFMFHPSALRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2)13(19)12(17-6-5-16-8-11(17)18)9-7-15-4-3-10(9)20-14/h3-4,7,16,19H,5-6,8H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one?
1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one has a molecular weight of 275.31 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one is sourced from PubChem (CID 23162933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).