2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

C12H19N3O2 — CID 105499265

IUPAC2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1CC1CCCCN1)CCOC2
InChIInChI=1S/C12H19N3O2/c16-12-10-8-17-6-4-11(10)14-15(12)7-9-3-1-2-5-13-9/h9,13-14H,1-8H2
InChIKeyDKQGCRSGLOLAID-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.39
Rot. Bonds2

About 2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (PubChem CID 105499265) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
PubChem CID105499265
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1CC1CCCCN1)CCOC2
InChIInChI=1S/C12H19N3O2/c16-12-10-8-17-6-4-11(10)14-15(12)7-9-3-1-2-5-13-9/h9,13-14H,1-8H2
InChIKeyDKQGCRSGLOLAID-UHFFFAOYSA-N
XLogP0.39
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 105498032
2-(2-hydroxypropyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 130536496
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
N-(piperidin-2-ylmethyl)oxan-4-amine
CID 106633164
3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 83848457
5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
CID 84727120
1-(piperidin-2-ylmethyl)pyrrolidin-3-one
CID 115016246
1-(piperidin-2-ylmethyl)pyrazolidin-3-one
CID 105440737
3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one
CID 105482162
5-oxo-4-(pyrrolidin-2-ylmethyl)morpholine-3-carboxylic acid
CID 115102725
7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
CID 131123539
N-(piperidin-2-ylmethyl)cyclooctanamine
CID 106632850

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (CID 105499265) is 2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is O=c1c2c([nH]n1CC1CCCCN1)CCOC2.
What is the InChIKey of 2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The InChIKey is DKQGCRSGLOLAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12-10-8-17-6-4-11(10)14-15(12)7-9-3-1-2-5-13-9/h9,13-14H,1-8H2.
What are the key properties of 2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one has a molecular weight of 237.30 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 105499265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).