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

C18H31N3O2 — CID 155710680

IUPAC2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(C)(n2cc(CC(C)C)cn2)CC1
InChIInChI=1S/C18H31N3O2/c1-14(2)11-15-12-19-21(13-15)18(5)7-9-20(10-8-18)16(22)17(3,4)23-6/h12-14H,7-11H2,1-6H3
InChIKeyRXSOSZKSYXLHOR-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.84
Rot. Bonds5

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

2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 155710680) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID155710680
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(C)(n2cc(CC(C)C)cn2)CC1
InChIInChI=1S/C18H31N3O2/c1-14(2)11-15-12-19-21(13-15)18(5)7-9-20(10-8-18)16(22)17(3,4)23-6/h12-14H,7-11H2,1-6H3
InChIKeyRXSOSZKSYXLHOR-UHFFFAOYSA-N
XLogP2.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (CID 155710680) is 2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is COC(C)(C)C(=O)N1CCC(C)(n2cc(CC(C)C)cn2)CC1.
What is the InChIKey of 2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is RXSOSZKSYXLHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-14(2)11-15-12-19-21(13-15)18(5)7-9-20(10-8-18)16(22)17(3,4)23-6/h12-14H,7-11H2,1-6H3.
What are the key properties of 2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
2-methoxy-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 321.47 g/mol, XLogP of 2.84, 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-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 155710680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).