3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one

C12H20N4O2 — CID 113229761

IUPAC3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one
SMILESCOc1c(CNC2CCCNC2=O)c(C)nn1C
InChIInChI=1S/C12H20N4O2/c1-8-9(12(18-3)16(2)15-8)7-14-10-5-4-6-13-11(10)17/h10,14H,4-7H2,1-3H3,(H,13,17)
InChIKeyXVYVOPFMEVIYJE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.11
Rot. Bonds4

About 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one

3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one (PubChem CID 113229761) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one
PubChem CID113229761
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one
SMILESCOc1c(CNC2CCCNC2=O)c(C)nn1C
InChIInChI=1S/C12H20N4O2/c1-8-9(12(18-3)16(2)15-8)7-14-10-5-4-6-13-11(10)17/h10,14H,4-7H2,1-3H3,(H,13,17)
InChIKeyXVYVOPFMEVIYJE-UHFFFAOYSA-N
XLogP0.11
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one (CID 113229761) is 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one is COc1c(CNC2CCCNC2=O)c(C)nn1C.
What is the InChIKey of 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one?
The InChIKey is XVYVOPFMEVIYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-9(12(18-3)16(2)15-8)7-14-10-5-4-6-13-11(10)17/h10,14H,4-7H2,1-3H3,(H,13,17).
What are the key properties of 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one?
3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one has a molecular weight of 252.32 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 113229761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).