3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one

C10H16N4O — CID 62094095

IUPAC3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1ccn[nH]1
InChIInChI=1S/C10H16N4O/c1-7(8-4-6-12-14-8)13-9-3-2-5-11-10(9)15/h4,6-7,9,13H,2-3,5H2,1H3,(H,11,15)(H,12,14)
InChIKeyRWTDALIYFUMEQB-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.34
Rot. Bonds3

About 3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one

3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one (PubChem CID 62094095) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one
PubChem CID62094095
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1ccn[nH]1
InChIInChI=1S/C10H16N4O/c1-7(8-4-6-12-14-8)13-9-3-2-5-11-10(9)15/h4,6-7,9,13H,2-3,5H2,1H3,(H,11,15)(H,12,14)
InChIKeyRWTDALIYFUMEQB-UHFFFAOYSA-N
XLogP0.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one?
The IUPAC name of 3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one (CID 62094095) is 3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one.
What is the SMILES notation for 3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one?
The canonical SMILES for 3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one is CC(NC1CCCNC1=O)c1ccn[nH]1.
What is the InChIKey of 3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one?
The InChIKey is RWTDALIYFUMEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(8-4-6-12-14-8)13-9-3-2-5-11-10(9)15/h4,6-7,9,13H,2-3,5H2,1H3,(H,11,15)(H,12,14).
What are the key properties of 3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one?
3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one is sourced from PubChem (CID 62094095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).