1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one

C22H30N2O3 — CID 31224187

IUPAC1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one
SMILESCC(C)=CC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O
InChIInChI=1S/C22H30N2O3/c1-16(2)15-19(25)23-9-7-22(8-10-23)18-6-4-3-5-17(18)20(21(22)26)24-11-13-27-14-12-24/h3-6,15,20-21,26H,7-14H2,1-2H3/t20-,21+/m1/s1
InChIKeyMMWGOGZIBOAXFN-RTWAWAEBSA-N
MW370.49 g/mol
LogP2.26
Rot. Bonds2

About 1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one

1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one (PubChem CID 31224187) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one
PubChem CID31224187
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one
SMILESCC(C)=CC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O
InChIInChI=1S/C22H30N2O3/c1-16(2)15-19(25)23-9-7-22(8-10-23)18-6-4-3-5-17(18)20(21(22)26)24-11-13-27-14-12-24/h3-6,15,20-21,26H,7-14H2,1-2H3/t20-,21+/m1/s1
InChIKeyMMWGOGZIBOAXFN-RTWAWAEBSA-N
XLogP2.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R)-2-hydroxy-1-morpholin-4-yl-N-phenylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 29217797
(1R,2R)-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30882023
[(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 30881837
[(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone
CID 31224741
N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine
CID 14126801
ethyl 2-[(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetate;bis(2,2,2-trifluoroacetic acid)
CID 154889312
1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)-3-methylbut-2-en-1-one
CID 126827427
(E)-1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 29102845
(1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133116592
(1R,2R)-2-hydroxy-1-imidazol-1-yl-N-phenylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 45175265
4-[(1R,2R)-2-hydroxy-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-2-one
CID 28955841
[(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone
CID 133117218

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one?
The IUPAC name of 1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one (CID 31224187) is 1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one?
The canonical SMILES for 1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one is CC(C)=CC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O.
What is the InChIKey of 1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one?
The InChIKey is MMWGOGZIBOAXFN-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16(2)15-19(25)23-9-7-22(8-10-23)18-6-4-3-5-17(18)20(21(22)26)24-11-13-27-14-12-24/h3-6,15,20-21,26H,7-14H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one?
1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one has a molecular weight of 370.49 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one is sourced from PubChem (CID 31224187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).