(3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one

C18H17N3O3 — CID 95712790

IUPAC(3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H17N3O3/c22-15-12(5-3-9-19-15)16(23)21-10-4-8-18(11-21)13-6-1-2-7-14(13)20-17(18)24/h1-3,5-7,9H,4,8,10-11H2,(H,19,22)(H,20,24)/t18-/m0/s1
InChIKeyBLBBBJIFSYGYAM-SFHVURJKSA-N
MW323.35 g/mol
LogP1.50
Rot. Bonds1

About (3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one

(3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 95712790) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID95712790
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H17N3O3/c22-15-12(5-3-9-19-15)16(23)21-10-4-8-18(11-21)13-6-1-2-7-14(13)20-17(18)24/h1-3,5-7,9H,4,8,10-11H2,(H,19,22)(H,20,24)/t18-/m0/s1
InChIKeyBLBBBJIFSYGYAM-SFHVURJKSA-N
XLogP1.50
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of (3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 95712790) is (3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one is O=C(c1ccc[nH]c1=O)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of (3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is BLBBBJIFSYGYAM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-15-12(5-3-9-19-15)16(23)21-10-4-8-18(11-21)13-6-1-2-7-14(13)20-17(18)24/h1-3,5-7,9H,4,8,10-11H2,(H,19,22)(H,20,24)/t18-/m0/s1.
What are the key properties of (3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one?
(3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 323.35 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95712790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).