6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

C20H23N3O4 — CID 72920747

IUPAC6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCC3(CC2)c2ccccc2CC3O)cc(=O)n(C)c1=O
InChIInChI=1S/C20H23N3O4/c1-21-15(12-17(25)22(2)19(21)27)18(26)23-9-7-20(8-10-23)14-6-4-3-5-13(14)11-16(20)24/h3-6,12,16,24H,7-11H2,1-2H3
InChIKeyIGCDXCBEFGKXBY-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.17
Rot. Bonds1

About 6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 72920747) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID72920747
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCC3(CC2)c2ccccc2CC3O)cc(=O)n(C)c1=O
InChIInChI=1S/C20H23N3O4/c1-21-15(12-17(25)22(2)19(21)27)18(26)23-9-7-20(8-10-23)14-6-4-3-5-13(14)11-16(20)24/h3-6,12,16,24H,7-11H2,1-2H3
InChIKeyIGCDXCBEFGKXBY-UHFFFAOYSA-N
XLogP0.17
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 56884985
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 95726170
(4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 56891399
(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one
CID 56889620
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 95723009
1-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 95726493
(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
CID 74246609
(5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone
CID 95713749
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95730053
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid
CID 58632796
1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one
CID 56894938
2-(2-ethylimidazol-1-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 56895286

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (CID 72920747) is 6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(C(=O)N2CCC3(CC2)c2ccccc2CC3O)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IGCDXCBEFGKXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-21-15(12-17(25)22(2)19(21)27)18(26)23-9-7-20(8-10-23)14-6-4-3-5-13(14)11-16(20)24/h3-6,12,16,24H,7-11H2,1-2H3.
What are the key properties of 6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 369.42 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 72920747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).