[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone

C17H25N3O3 — CID 91915305

IUPAC[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCn1nc(C2CCN(C(=O)C3CCCO3)CC2)c2c1CCOC2
InChIInChI=1S/C17H25N3O3/c1-19-14-6-10-22-11-13(14)16(18-19)12-4-7-20(8-5-12)17(21)15-3-2-9-23-15/h12,15H,2-11H2,1H3
InChIKeyWERPLQIYHYOMEI-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.38
Rot. Bonds2

About [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone

[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 91915305) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID91915305
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCn1nc(C2CCN(C(=O)C3CCCO3)CC2)c2c1CCOC2
InChIInChI=1S/C17H25N3O3/c1-19-14-6-10-22-11-13(14)16(18-19)12-4-7-20(8-5-12)17(21)15-3-2-9-23-15/h12,15H,2-11H2,1H3
InChIKeyWERPLQIYHYOMEI-UHFFFAOYSA-N
XLogP1.38
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone (CID 91915305) is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone is Cn1nc(C2CCN(C(=O)C3CCCO3)CC2)c2c1CCOC2.
What is the InChIKey of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is WERPLQIYHYOMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-19-14-6-10-22-11-13(14)16(18-19)12-4-7-20(8-5-12)17(21)15-3-2-9-23-15/h12,15H,2-11H2,1H3.
What are the key properties of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 91915305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).