2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide

C15H27N3O — CID 102682591

IUPAC2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CC2CCCNC2C1
InChIInChI=1S/C15H27N3O/c1-11(15(19)17-13-6-2-3-7-13)18-9-12-5-4-8-16-14(12)10-18/h11-14,16H,2-10H2,1H3,(H,17,19)
InChIKeyYWTQYKOBWNOPEB-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.12
Rot. Bonds3

About 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide

2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide (PubChem CID 102682591) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide
PubChem CID102682591
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CC2CCCNC2C1
InChIInChI=1S/C15H27N3O/c1-11(15(19)17-13-6-2-3-7-13)18-9-12-5-4-8-16-14(12)10-18/h11-14,16H,2-10H2,1H3,(H,17,19)
InChIKeyYWTQYKOBWNOPEB-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide?
The IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide (CID 102682591) is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N1CC2CCCNC2C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide?
The InChIKey is YWTQYKOBWNOPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(15(19)17-13-6-2-3-7-13)18-9-12-5-4-8-16-14(12)10-18/h11-14,16H,2-10H2,1H3,(H,17,19).
What are the key properties of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide?
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide has a molecular weight of 265.40 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide is sourced from PubChem (CID 102682591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).