3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one

C13H16N4O — CID 66415273

IUPAC3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one
SMILESO=C1NCCCC1NCc1c[nH]c2ncccc12
InChIInChI=1S/C13H16N4O/c18-13-11(4-2-6-15-13)16-7-9-8-17-12-10(9)3-1-5-14-12/h1,3,5,8,11,16H,2,4,6-7H2,(H,14,17)(H,15,18)
InChIKeyBDDMMZVMJMMXEX-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.93
Rot. Bonds3

About 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one (PubChem CID 66415273) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one
PubChem CID66415273
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one
SMILESO=C1NCCCC1NCc1c[nH]c2ncccc12
InChIInChI=1S/C13H16N4O/c18-13-11(4-2-6-15-13)16-7-9-8-17-12-10(9)3-1-5-14-12/h1,3,5,8,11,16H,2,4,6-7H2,(H,14,17)(H,15,18)
InChIKeyBDDMMZVMJMMXEX-UHFFFAOYSA-N
XLogP0.93
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one?
The IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one (CID 66415273) is 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one.
What is the SMILES notation for 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one?
The canonical SMILES for 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one is O=C1NCCCC1NCc1c[nH]c2ncccc12.
What is the InChIKey of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one?
The InChIKey is BDDMMZVMJMMXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13-11(4-2-6-15-13)16-7-9-8-17-12-10(9)3-1-5-14-12/h1,3,5,8,11,16H,2,4,6-7H2,(H,14,17)(H,15,18).
What are the key properties of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one?
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one has a molecular weight of 244.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one is sourced from PubChem (CID 66415273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).