N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide

C24H29ClN4O3 — CID 168997309

IUPACN-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cnc1C
InChIInChI=1S/C24H29ClN4O3/c1-3-4-22(30)27-21-14-18(15-26-16(21)2)32-12-11-29-9-7-24(8-10-29)19-13-17(25)5-6-20(19)28-23(24)31/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyYYVFZSPQOHNKFC-UHFFFAOYSA-N
MW456.97 g/mol
LogP4.15
Rot. Bonds7

About N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide

N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide (PubChem CID 168997309) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide
PubChem CID168997309
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC NameN-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cnc1C
InChIInChI=1S/C24H29ClN4O3/c1-3-4-22(30)27-21-14-18(15-26-16(21)2)32-12-11-29-9-7-24(8-10-29)19-13-17(25)5-6-20(19)28-23(24)31/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyYYVFZSPQOHNKFC-UHFFFAOYSA-N
XLogP4.15
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane
CID 168997499
butane;N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methylphenyl]acetamide
CID 168997734
5-chloro-1'-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996371
5-chloro-1'-[2-[2-(2-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997807
5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997530
5-chloro-1'-[2-[2-(3-hydroxy-3-methylcyclobutyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996612
5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997067
5-chloro-1'-[2-[3,5-difluoro-4-(1-fluoroethyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997815
5-(difluoromethyl)-1'-[2-[[6-methyl-5-(2-oxobutyl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996404
5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997390
5-chloro-1'-[2-[[5-[(Z)-3-methylpent-1-enyl]-6-(3-methylpent-1-en-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996973
N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide
CID 170118806

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide?
The IUPAC name of N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide (CID 168997309) is N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide.
What is the SMILES notation for N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide?
The canonical SMILES for N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide is CCCC(=O)Nc1cc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cnc1C.
What is the InChIKey of N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide?
The InChIKey is YYVFZSPQOHNKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-3-4-22(30)27-21-14-18(15-26-16(21)2)32-12-11-29-9-7-24(8-10-29)19-13-17(25)5-6-20(19)28-23(24)31/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide?
N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide has a molecular weight of 456.97 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide is sourced from PubChem (CID 168997309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).