3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one

C19H33N3O2 — CID 155207497

IUPAC3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCOCC(C)(C)C(=O)N1CCC(C)(n2cc(CC(C)C)cn2)CC1
InChIInChI=1S/C19H33N3O2/c1-15(2)11-16-12-20-22(13-16)19(5)7-9-21(10-8-19)17(23)18(3,4)14-24-6/h12-13,15H,7-11,14H2,1-6H3
InChIKeyXSWAIIINJGDRRL-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.09
Rot. Bonds6

About 3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one

3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 155207497) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID155207497
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCOCC(C)(C)C(=O)N1CCC(C)(n2cc(CC(C)C)cn2)CC1
InChIInChI=1S/C19H33N3O2/c1-15(2)11-16-12-20-22(13-16)19(5)7-9-21(10-8-19)17(23)18(3,4)14-24-6/h12-13,15H,7-11,14H2,1-6H3
InChIKeyXSWAIIINJGDRRL-UHFFFAOYSA-N
XLogP3.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (CID 155207497) is 3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is COCC(C)(C)C(=O)N1CCC(C)(n2cc(CC(C)C)cn2)CC1.
What is the InChIKey of 3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is XSWAIIINJGDRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15(2)11-16-12-20-22(13-16)19(5)7-9-21(10-8-19)17(23)18(3,4)14-24-6/h12-13,15H,7-11,14H2,1-6H3.
What are the key properties of 3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 335.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 155207497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).