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

C12H20N4O — CID 43435375

IUPAC1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cn[nH]c2C)CC1
InChIInChI=1S/C12H20N4O/c1-9-11(8-14-15-9)7-13-12-3-5-16(6-4-12)10(2)17/h8,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyJTDNHDAXOLKSSY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.82
Rot. Bonds3

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

1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 43435375) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID43435375
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cn[nH]c2C)CC1
InChIInChI=1S/C12H20N4O/c1-9-11(8-14-15-9)7-13-12-3-5-16(6-4-12)10(2)17/h8,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyJTDNHDAXOLKSSY-UHFFFAOYSA-N
XLogP0.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone (CID 43435375) is 1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2cn[nH]c2C)CC1.
What is the InChIKey of 1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is JTDNHDAXOLKSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(8-14-15-9)7-13-12-3-5-16(6-4-12)10(2)17/h8,12-13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 236.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43435375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).