1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one

C11H18N4O — CID 64654324

IUPAC1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
SMILESCc1[nH]ncc1CNC1CCC(=O)N(C)C1
InChIInChI=1S/C11H18N4O/c1-8-9(6-13-14-8)5-12-10-3-4-11(16)15(2)7-10/h6,10,12H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyQHLGOUOOEVYOBW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.43
Rot. Bonds3

About 1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one

1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one (PubChem CID 64654324) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
PubChem CID64654324
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
SMILESCc1[nH]ncc1CNC1CCC(=O)N(C)C1
InChIInChI=1S/C11H18N4O/c1-8-9(6-13-14-8)5-12-10-3-4-11(16)15(2)7-10/h6,10,12H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyQHLGOUOOEVYOBW-UHFFFAOYSA-N
XLogP0.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one (CID 64654324) is 1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one is Cc1[nH]ncc1CNC1CCC(=O)N(C)C1.
What is the InChIKey of 1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one?
The InChIKey is QHLGOUOOEVYOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-9(6-13-14-8)5-12-10-3-4-11(16)15(2)7-10/h6,10,12H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of 1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one?
1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 64654324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).