1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one

C19H22N4O — CID 97452598

IUPAC1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCCc1cnc(N2CCC3(CC2)C(=O)N(C)c2ccccc23)nc1
InChIInChI=1S/C19H22N4O/c1-3-14-12-20-18(21-13-14)23-10-8-19(9-11-23)15-6-4-5-7-16(15)22(2)17(19)24/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyRRSGOYPFYPOVNR-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.55
Rot. Bonds2

About 1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one

1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 97452598) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID97452598
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCCc1cnc(N2CCC3(CC2)C(=O)N(C)c2ccccc23)nc1
InChIInChI=1S/C19H22N4O/c1-3-14-12-20-18(21-13-14)23-10-8-19(9-11-23)15-6-4-5-7-16(15)22(2)17(19)24/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyRRSGOYPFYPOVNR-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
CID 59909654
CID 59909654
1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56906016
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1'-furo[3,2-c]pyridin-4-yl-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56918431
1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 110875643
1'-(1-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914358
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one
CID 56902357
1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637
1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one
CID 56885365
ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate
CID 69266254

Frequently Asked Questions

What is the IUPAC name of 1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 97452598) is 1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one is CCc1cnc(N2CCC3(CC2)C(=O)N(C)c2ccccc23)nc1.
What is the InChIKey of 1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is RRSGOYPFYPOVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-14-12-20-18(21-13-14)23-10-8-19(9-11-23)15-6-4-5-7-16(15)22(2)17(19)24/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 97452598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).