5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one

C14H23N3O2 — CID 118946530

IUPAC5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one
SMILESO=C1CC2CN(C(=O)CC3CCNCC3)CCC2N1
InChIInChI=1S/C14H23N3O2/c18-13-8-11-9-17(6-3-12(11)16-13)14(19)7-10-1-4-15-5-2-10/h10-12,15H,1-9H2,(H,16,18)
InChIKeyRUUKNSONQJFESO-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.11
Rot. Bonds2

About 5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one

5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one (PubChem CID 118946530) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one
PubChem CID118946530
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one
SMILESO=C1CC2CN(C(=O)CC3CCNCC3)CCC2N1
InChIInChI=1S/C14H23N3O2/c18-13-8-11-9-17(6-3-12(11)16-13)14(19)7-10-1-4-15-5-2-10/h10-12,15H,1-9H2,(H,16,18)
InChIKeyRUUKNSONQJFESO-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one (CID 118946530) is 5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one is O=C1CC2CN(C(=O)CC3CCNCC3)CCC2N1.
What is the InChIKey of 5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one?
The InChIKey is RUUKNSONQJFESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c18-13-8-11-9-17(6-3-12(11)16-13)14(19)7-10-1-4-15-5-2-10/h10-12,15H,1-9H2,(H,16,18).
What are the key properties of 5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one?
5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-4-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 118946530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).