3-amino-1-piperidin-4-yl-3H-indol-2-one

C13H17N3O — CID 174586562

IUPAC3-amino-1-piperidin-4-yl-3H-indol-2-one
SMILESNC1C(=O)N(C2CCNCC2)c2ccccc21
InChIInChI=1S/C13H17N3O/c14-12-10-3-1-2-4-11(10)16(13(12)17)9-5-7-15-8-6-9/h1-4,9,12,15H,5-8,14H2
InChIKeyJSHUBGRDLZVVNP-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.79
Rot. Bonds1

About 3-amino-1-piperidin-4-yl-3H-indol-2-one

3-amino-1-piperidin-4-yl-3H-indol-2-one (PubChem CID 174586562) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-amino-1-piperidin-4-yl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-piperidin-4-yl-3H-indol-2-one
PubChem CID174586562
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-amino-1-piperidin-4-yl-3H-indol-2-one
SMILESNC1C(=O)N(C2CCNCC2)c2ccccc21
InChIInChI=1S/C13H17N3O/c14-12-10-3-1-2-4-11(10)16(13(12)17)9-5-7-15-8-6-9/h1-4,9,12,15H,5-8,14H2
InChIKeyJSHUBGRDLZVVNP-UHFFFAOYSA-N
XLogP0.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-piperidin-4-yl-3H-indol-2-one?
The IUPAC name of 3-amino-1-piperidin-4-yl-3H-indol-2-one (CID 174586562) is 3-amino-1-piperidin-4-yl-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-piperidin-4-yl-3H-indol-2-one?
The canonical SMILES for 3-amino-1-piperidin-4-yl-3H-indol-2-one is NC1C(=O)N(C2CCNCC2)c2ccccc21.
What is the InChIKey of 3-amino-1-piperidin-4-yl-3H-indol-2-one?
The InChIKey is JSHUBGRDLZVVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-12-10-3-1-2-4-11(10)16(13(12)17)9-5-7-15-8-6-9/h1-4,9,12,15H,5-8,14H2.
What are the key properties of 3-amino-1-piperidin-4-yl-3H-indol-2-one?
3-amino-1-piperidin-4-yl-3H-indol-2-one has a molecular weight of 231.30 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-piperidin-4-yl-3H-indol-2-one is sourced from PubChem (CID 174586562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).