1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

C13H21N3O2 — CID 103195114

IUPAC1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCC2C1CCCN2C(=O)N1CCCCC1
InChIInChI=1S/C13H21N3O2/c17-12-10-5-4-8-16(11(10)9-14-12)13(18)15-6-2-1-3-7-15/h10-11H,1-9H2,(H,14,17)
InChIKeyIJGOLVRYMXIHGR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.80
Rot. Bonds

About 1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 103195114) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID103195114
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCC2C1CCCN2C(=O)N1CCCCC1
InChIInChI=1S/C13H21N3O2/c17-12-10-5-4-8-16(11(10)9-14-12)13(18)15-6-2-1-3-7-15/h10-11H,1-9H2,(H,14,17)
InChIKeyIJGOLVRYMXIHGR-UHFFFAOYSA-N
XLogP0.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3R,8S,8aS)-1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]-3-cyclohexylurea
CID 11865770
(4aR,7aS)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 119031176
rac-(4aR,7aS)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 122163742
(8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75368409
N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 126806486
5-(2-(1-(3-aminopropanoyl)piperidin-4-yl)acetyl)octahydro-2H-pyrrolo[3,2-c]pyridin-2-one
CID 118946387
5-(2-(piperidin-4-yl)acetyl)octahydro-2H-pyrrolo[3,2-c]pyridin-2-one
CID 118946530
cis-3a-Fluoro-5-isopropyl-N-methyl-4-oxohexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxamide
CID 97521723
5-oxo-N-(2,2,2-trifluoroethyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
CID 113786591
(3aS,7aR)-3a-fluoro-N-methyl-4-oxo-5-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 125262315
(4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 127004412
(4aR,7aS)-5-oxo-N-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
CID 154795571

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (CID 103195114) is 1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is O=C1NCC2C1CCCN2C(=O)N1CCCCC1.
What is the InChIKey of 1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is IJGOLVRYMXIHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-12-10-5-4-8-16(11(10)9-14-12)13(18)15-6-2-1-3-7-15/h10-11H,1-9H2,(H,14,17).
What are the key properties of 1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 251.33 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-1-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 103195114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).