2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one

C17H29N3O2 — CID 155207495

IUPAC2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCCCc1cnn(C2(C)CCN(C(=O)C(C)(C)OC)CC2)c1
InChIInChI=1S/C17H29N3O2/c1-6-7-14-12-18-20(13-14)17(4)8-10-19(11-9-17)15(21)16(2,3)22-5/h12-13H,6-11H2,1-5H3
InChIKeyDFHFZDRSKJUIKA-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.60
Rot. Bonds5

About 2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one

2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 155207495) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one
PubChem CID155207495
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCCCc1cnn(C2(C)CCN(C(=O)C(C)(C)OC)CC2)c1
InChIInChI=1S/C17H29N3O2/c1-6-7-14-12-18-20(13-14)17(4)8-10-19(11-9-17)15(21)16(2,3)22-5/h12-13H,6-11H2,1-5H3
InChIKeyDFHFZDRSKJUIKA-UHFFFAOYSA-N
XLogP2.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56824970
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72932030
N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-morpholinecarboxamide
CID 56917263
3,3,3-Trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 155207496
3-Fluoro-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155207530
2-Fluoro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155710452
3,3,3-Trifluoro-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155710453
N,2-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]tetrahydro-2H-pyran-2-carboxamide
CID 56757436
Ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate
CID 145069937
1-[4-[4-(2-Methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 146202183
2-Methyl-1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 153444711
3-Methoxy-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155207497

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one (CID 155207495) is 2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one is CCCc1cnn(C2(C)CCN(C(=O)C(C)(C)OC)CC2)c1.
What is the InChIKey of 2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is DFHFZDRSKJUIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-6-7-14-12-18-20(13-14)17(4)8-10-19(11-9-17)15(21)16(2,3)22-5/h12-13H,6-11H2,1-5H3.
What are the key properties of 2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 307.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 155207495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).