1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one

C21H30N2O2 — CID 118742634

IUPAC1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CC(N1CCOCC1)c1cc(C)ccc12
InChIInChI=1S/C21H30N2O2/c1-3-20(24)23-8-6-21(7-9-23)15-19(22-10-12-25-13-11-22)17-14-16(2)4-5-18(17)21/h4-5,14,19H,3,6-13,15H2,1-2H3
InChIKeyLHWDGEDJKSUXCW-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.04
Rot. Bonds2

About 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one

1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one (PubChem CID 118742634) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
PubChem CID118742634
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CC(N1CCOCC1)c1cc(C)ccc12
InChIInChI=1S/C21H30N2O2/c1-3-20(24)23-8-6-21(7-9-23)15-19(22-10-12-25-13-11-22)17-14-16(2)4-5-18(17)21/h4-5,14,19H,3,6-13,15H2,1-2H3
InChIKeyLHWDGEDJKSUXCW-UHFFFAOYSA-N
XLogP3.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-Dihydro-1H-inden-1-yl)-N-methyl-2-(morpholin-4-yl)acetamide
CID 110872
1-Indanamine, N-(2-morpholinopropionyl)-N-methyl-, hydrochloride
CID 110899
4-(Morpholin-4-yl)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)butanimidic acid
CID 115639
3-(Morpholin-4-yl)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)propanimidic acid
CID 115640
1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 71979109
4-(6-Methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)morpholine
CID 118738943
2-Methoxy-1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118738948
1,1-Dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
CID 118739339
4-(5-Methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)morpholine
CID 118740840
N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide
CID 118740898
1-(5-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118742632
Cyclopropyl-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 118742639

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The IUPAC name of 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one (CID 118742634) is 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one.
What is the SMILES notation for 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The canonical SMILES for 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one is CCC(=O)N1CCC2(CC1)CC(N1CCOCC1)c1cc(C)ccc12.
What is the InChIKey of 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The InChIKey is LHWDGEDJKSUXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-3-20(24)23-8-6-21(7-9-23)15-19(22-10-12-25-13-11-22)17-14-16(2)4-5-18(17)21/h4-5,14,19H,3,6-13,15H2,1-2H3.
What are the key properties of 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one has a molecular weight of 342.48 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one is sourced from PubChem (CID 118742634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).