1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one

C21H26N4O4 — CID 170057150

IUPAC1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCc1ccc2c(c1)C1(CCN(CCOc3cnc(C(O)CO)nc3)CC1)C(=O)N2
InChIInChI=1S/C21H26N4O4/c1-14-2-3-17-16(10-14)21(20(28)24-17)4-6-25(7-5-21)8-9-29-15-11-22-19(23-12-15)18(27)13-26/h2-3,10-12,18,26-27H,4-9,13H2,1H3,(H,24,28)
InChIKeyGQARJZDNSGZVDE-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.18
Rot. Bonds6

About 1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one

1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 170057150) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID170057150
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCc1ccc2c(c1)C1(CCN(CCOc3cnc(C(O)CO)nc3)CC1)C(=O)N2
InChIInChI=1S/C21H26N4O4/c1-14-2-3-17-16(10-14)21(20(28)24-17)4-6-25(7-5-21)8-9-29-15-11-22-19(23-12-15)18(27)13-26/h2-3,10-12,18,26-27H,4-9,13H2,1H3,(H,24,28)
InChIKeyGQARJZDNSGZVDE-UHFFFAOYSA-N
XLogP1.18
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 170069560
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-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996371
5-chloro-1'-[2-[2-(3-hydroxy-3-methylcyclobutyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996612
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-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997530
N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide
CID 168997309
5-chloro-1'-[2-[3,5-difluoro-4-(1-fluoroethyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997815
N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane
CID 168997499
5-chloro-1'-[2-[2-(2-methylsulfonylbut-3-en-2-yl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 170064712
1'-[2-(4-aminophenoxy)ethyl]-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 168997467
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

Frequently Asked Questions

What is the IUPAC name of 1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one (CID 170057150) is 1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one is Cc1ccc2c(c1)C1(CCN(CCOc3cnc(C(O)CO)nc3)CC1)C(=O)N2.
What is the InChIKey of 1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is GQARJZDNSGZVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-14-2-3-17-16(10-14)21(20(28)24-17)4-6-25(7-5-21)8-9-29-15-11-22-19(23-12-15)18(27)13-26/h2-3,10-12,18,26-27H,4-9,13H2,1H3,(H,24,28).
What are the key properties of 1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one?
1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 398.46 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 170057150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).