2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone

C24H33N3O3 — CID 131652878

IUPAC2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21)N1CCCC1
InChIInChI=1S/C24H33N3O3/c28-22(25-9-3-4-10-25)17-19-18-24(21-6-2-1-5-20(19)21)7-11-26(12-8-24)23(29)27-13-15-30-16-14-27/h1-2,5-6,19H,3-4,7-18H2
InChIKeyJORJSTUNPWFWDE-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.97
Rot. Bonds2

About 2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone

2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 131652878) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID131652878
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21)N1CCCC1
InChIInChI=1S/C24H33N3O3/c28-22(25-9-3-4-10-25)17-19-18-24(21-6-2-1-5-20(19)21)7-11-26(12-8-24)23(29)27-13-15-30-16-14-27/h1-2,5-6,19H,3-4,7-18H2
InChIKeyJORJSTUNPWFWDE-UHFFFAOYSA-N
XLogP2.97
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661049
2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone
CID 131647920
2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
CID 131660230
N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97400683
1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone
CID 121229522
1-morpholin-4-yl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131642800
2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131656932
1-morpholin-4-yl-2-[(1S)-1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97375942
N-cyclobutyl-2-[1'-(oxane-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131650515
3,3-dimethyl-1-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one
CID 131657875
2-[1'-(2-cyclopentylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131655151
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376083

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone (CID 131652878) is 2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CC1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21)N1CCCC1.
What is the InChIKey of 2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is JORJSTUNPWFWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c28-22(25-9-3-4-10-25)17-19-18-24(21-6-2-1-5-20(19)21)7-11-26(12-8-24)23(29)27-13-15-30-16-14-27/h1-2,5-6,19H,3-4,7-18H2.
What are the key properties of 2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone?
2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 411.55 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 131652878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).