[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

C20H34N4O4 — CID 146093779

IUPAC[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESCOCCn1nc2c(c1C(=O)N1CCN(CC(C)(C)O)CC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C20H34N4O4/c1-14-12-16-17(15(2)28-14)21-24(10-11-27-5)18(16)19(25)23-8-6-22(7-9-23)13-20(3,4)26/h14-15,26H,6-13H2,1-5H3/t14-,15+/m0/s1
InChIKeyDHDHWGNRRRCGLI-LSDHHAIUSA-N
MW394.52 g/mol
LogP1.08
Rot. Bonds6

About [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (PubChem CID 146093779) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
PubChem CID146093779
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESCOCCn1nc2c(c1C(=O)N1CCN(CC(C)(C)O)CC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C20H34N4O4/c1-14-12-16-17(15(2)28-14)21-24(10-11-27-5)18(16)19(25)23-8-6-22(7-9-23)13-20(3,4)26/h14-15,26H,6-13H2,1-5H3/t14-,15+/m0/s1
InChIKeyDHDHWGNRRRCGLI-LSDHHAIUSA-N
XLogP1.08
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (CID 146093779) is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is COCCn1nc2c(c1C(=O)N1CCN(CC(C)(C)O)CC1)C[C@H](C)O[C@@H]2C.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The InChIKey is DHDHWGNRRRCGLI-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-14-12-16-17(15(2)28-14)21-24(10-11-27-5)18(16)19(25)23-8-6-22(7-9-23)13-20(3,4)26/h14-15,26H,6-13H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone has a molecular weight of 394.52 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is sourced from PubChem (CID 146093779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).