5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one

C20H25N5O3 — CID 170069560

IUPAC5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(O)c1ncc(OCCN2CCC3(CC2)C(=O)Nc2ccc(N)cc23)cn1
InChIInChI=1S/C20H25N5O3/c1-13(26)18-22-11-15(12-23-18)28-9-8-25-6-4-20(5-7-25)16-10-14(21)2-3-17(16)24-19(20)27/h2-3,10-13,26H,4-9,21H2,1H3,(H,24,27)
InChIKeyVIJVDRKVYNZMSA-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.48
Rot. Bonds5

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

5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 170069560) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID170069560
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(O)c1ncc(OCCN2CCC3(CC2)C(=O)Nc2ccc(N)cc23)cn1
InChIInChI=1S/C20H25N5O3/c1-13(26)18-22-11-15(12-23-18)28-9-8-25-6-4-20(5-7-25)16-10-14(21)2-3-17(16)24-19(20)27/h2-3,10-13,26H,4-9,21H2,1H3,(H,24,27)
InChIKeyVIJVDRKVYNZMSA-UHFFFAOYSA-N
XLogP1.48
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1'-[2-[2-(1,2-dihydroxyethyl)pyrimidin-5-yl]oxyethyl]-5-methylspiro[1H-indole-3,4'-piperidine]-2-one
CID 170057150
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
1'-[2-(4-aminophenoxy)ethyl]-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 168997467
5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996832
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-[3,5-difluoro-4-(1-fluoroethyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997815
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
N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide
CID 168997309
N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane
CID 168997499
1'-[2-[4-[(1S)-1-methylsulfonylethyl]phenoxy]ethyl]-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 168997228

Frequently Asked Questions

What is the IUPAC name of 5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 170069560) is 5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one is CC(O)c1ncc(OCCN2CCC3(CC2)C(=O)Nc2ccc(N)cc23)cn1.
What is the InChIKey of 5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is VIJVDRKVYNZMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13(26)18-22-11-15(12-23-18)28-9-8-25-6-4-20(5-7-25)16-10-14(21)2-3-17(16)24-19(20)27/h2-3,10-13,26H,4-9,21H2,1H3,(H,24,27).
What are the key properties of 5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 383.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1'-[2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 170069560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).