1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

C18H20N4O2 — CID 118888506

IUPAC1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESCOc1cc(N2CCC3(CC2)C(=O)Nc2ncccc23)ccc1N
InChIInChI=1S/C18H20N4O2/c1-24-15-11-12(4-5-14(15)19)22-9-6-18(7-10-22)13-3-2-8-20-16(13)21-17(18)23/h2-5,8,11H,6-7,9-10,19H2,1H3,(H,20,21,23)
InChIKeySRJLAVVPCBJFHZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.16
Rot. Bonds2

About 1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 118888506) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
PubChem CID118888506
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESCOc1cc(N2CCC3(CC2)C(=O)Nc2ncccc23)ccc1N
InChIInChI=1S/C18H20N4O2/c1-24-15-11-12(4-5-14(15)19)22-9-6-18(7-10-22)13-3-2-8-20-16(13)21-17(18)23/h2-5,8,11H,6-7,9-10,19H2,1H3,(H,20,21,23)
InChIKeySRJLAVVPCBJFHZ-UHFFFAOYSA-N
XLogP2.16
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (CID 118888506) is 1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is COc1cc(N2CCC3(CC2)C(=O)Nc2ncccc23)ccc1N.
What is the InChIKey of 1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is SRJLAVVPCBJFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-15-11-12(4-5-14(15)19)22-9-6-18(7-10-22)13-3-2-8-20-16(13)21-17(18)23/h2-5,8,11H,6-7,9-10,19H2,1H3,(H,20,21,23).
What are the key properties of 1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 118888506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).