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

C20H25N3O2 — CID 91915309

IUPAC1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone
SMILESCn1nc(C2CCN(C(=O)Cc3ccccc3)CC2)c2c1CCOC2
InChIInChI=1S/C20H25N3O2/c1-22-18-9-12-25-14-17(18)20(21-22)16-7-10-23(11-8-16)19(24)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyRESBHPMFVNQKGE-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.44
Rot. Bonds3

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

1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone (PubChem CID 91915309) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone
PubChem CID91915309
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone
SMILESCn1nc(C2CCN(C(=O)Cc3ccccc3)CC2)c2c1CCOC2
InChIInChI=1S/C20H25N3O2/c1-22-18-9-12-25-14-17(18)20(21-22)16-7-10-23(11-8-16)19(24)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyRESBHPMFVNQKGE-UHFFFAOYSA-N
XLogP2.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone (CID 91915309) is 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone is Cn1nc(C2CCN(C(=O)Cc3ccccc3)CC2)c2c1CCOC2.
What is the InChIKey of 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is RESBHPMFVNQKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22-18-9-12-25-14-17(18)20(21-22)16-7-10-23(11-8-16)19(24)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3.
What are the key properties of 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone?
1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 339.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 91915309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).