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

C16H25N3O2 — CID 110875795

IUPAC2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2nn(C)c3c2COCC3)CC1
InChIInChI=1S/C16H25N3O2/c1-11(2)16(20)19-7-4-12(5-8-19)15-13-10-21-9-6-14(13)18(3)17-15/h11-12H,4-10H2,1-3H3
InChIKeyDGLBPEGNLWECEL-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.85
Rot. Bonds2

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

2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 110875795) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID110875795
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2nn(C)c3c2COCC3)CC1
InChIInChI=1S/C16H25N3O2/c1-11(2)16(20)19-7-4-12(5-8-19)15-13-10-21-9-6-14(13)18(3)17-15/h11-12H,4-10H2,1-3H3
InChIKeyDGLBPEGNLWECEL-UHFFFAOYSA-N
XLogP1.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one (CID 110875795) is 2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(c2nn(C)c3c2COCC3)CC1.
What is the InChIKey of 2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is DGLBPEGNLWECEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)16(20)19-7-4-12(5-8-19)15-13-10-21-9-6-14(13)18(3)17-15/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one?
2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110875795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).