1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide

C24H27N5O3 — CID 166614212

IUPAC1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)CC1
InChIInChI=1S/C24H27N5O3/c25-22(31)16-7-11-28(12-8-16)15-20(30)29-13-9-24(21(29)17-4-3-10-26-14-17)18-5-1-2-6-19(18)27-23(24)32/h1-6,10,14,16,21H,7-9,11-13,15H2,(H2,25,31)(H,27,32)
InChIKeyVDXDMUFLBAQQBT-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.44
Rot. Bonds4

About 1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide

1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide (PubChem CID 166614212) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide
PubChem CID166614212
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)CC1
InChIInChI=1S/C24H27N5O3/c25-22(31)16-7-11-28(12-8-16)15-20(30)29-13-9-24(21(29)17-4-3-10-26-14-17)18-5-1-2-6-19(18)27-23(24)32/h1-6,10,14,16,21H,7-9,11-13,15H2,(H2,25,31)(H,27,32)
InChIKeyVDXDMUFLBAQQBT-UHFFFAOYSA-N
XLogP1.44
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(1-ethylpiperidine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614423
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
1'-(3-cyclobutylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623782
(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612829
1'-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622128
1'-(cyclohexanecarbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612985
1'-(1-acetylpiperidine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165422586
1'-(2-ethoxyacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615107
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide
CID 166614526
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]propanamide
CID 166612704
5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione
CID 166621818

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide (CID 166614212) is 1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)CC1.
What is the InChIKey of 1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is VDXDMUFLBAQQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c25-22(31)16-7-11-28(12-8-16)15-20(30)29-13-9-24(21(29)17-4-3-10-26-14-17)18-5-1-2-6-19(18)27-23(24)32/h1-6,10,14,16,21H,7-9,11-13,15H2,(H2,25,31)(H,27,32).
What are the key properties of 1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide?
1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 166614212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).