1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

C18H32N4O2 — CID 51104979

IUPAC1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1c(CNC2CCN(C(=O)C(C)C)CC2)c(C(C)C)nn1C
InChIInChI=1S/C18H32N4O2/c1-12(2)16-15(18(24-6)21(5)20-16)11-19-14-7-9-22(10-8-14)17(23)13(3)4/h12-14,19H,7-11H2,1-6H3
InChIKeyLYBZPDDCZCAECL-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.29
Rot. Bonds6

About 1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 51104979) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID51104979
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1c(CNC2CCN(C(=O)C(C)C)CC2)c(C(C)C)nn1C
InChIInChI=1S/C18H32N4O2/c1-12(2)16-15(18(24-6)21(5)20-16)11-19-14-7-9-22(10-8-14)17(23)13(3)4/h12-14,19H,7-11H2,1-6H3
InChIKeyLYBZPDDCZCAECL-UHFFFAOYSA-N
XLogP2.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (CID 51104979) is 1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is COc1c(CNC2CCN(C(=O)C(C)C)CC2)c(C(C)C)nn1C.
What is the InChIKey of 1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is LYBZPDDCZCAECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-12(2)16-15(18(24-6)21(5)20-16)11-19-14-7-9-22(10-8-14)17(23)13(3)4/h12-14,19H,7-11H2,1-6H3.
What are the key properties of 1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 336.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 51104979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).