3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone

C13H17N3O — CID 163520888

IUPAC3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone
SMILESO=C(C1=CC2CC=CN=C2N1)N1CCCCC1
InChIInChI=1S/C13H17N3O/c17-13(16-7-2-1-3-8-16)11-9-10-5-4-6-14-12(10)15-11/h4,6,9-10H,1-3,5,7-8H2,(H,14,15)
InChIKeyDKRWZGXYXAFBHR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.42
Rot. Bonds1

About 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone

3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone (PubChem CID 163520888) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone
PubChem CID163520888
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone
SMILESO=C(C1=CC2CC=CN=C2N1)N1CCCCC1
InChIInChI=1S/C13H17N3O/c17-13(16-7-2-1-3-8-16)11-9-10-5-4-6-14-12(10)15-11/h4,6,9-10H,1-3,5,7-8H2,(H,14,15)
InChIKeyDKRWZGXYXAFBHR-UHFFFAOYSA-N
XLogP1.42
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone?
The IUPAC name of 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone (CID 163520888) is 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone?
The canonical SMILES for 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone is O=C(C1=CC2CC=CN=C2N1)N1CCCCC1.
What is the InChIKey of 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone?
The InChIKey is DKRWZGXYXAFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(16-7-2-1-3-8-16)11-9-10-5-4-6-14-12(10)15-11/h4,6,9-10H,1-3,5,7-8H2,(H,14,15).
What are the key properties of 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone?
3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone has a molecular weight of 231.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 163520888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).