N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C24H35N3O3 — CID 97400683

IUPACN,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C24H35N3O3/c1-3-25(4-2)22(28)17-19-18-24(21-8-6-5-7-20(19)21)9-11-26(12-10-24)23(29)27-13-15-30-16-14-27/h5-8,19H,3-4,9-18H2,1-2H3/t19-/m0/s1
InChIKeyXVZWLQSMEZTIBQ-IBGZPJMESA-N
MW413.56 g/mol
LogP3.22
Rot. Bonds4

About N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 97400683) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID97400683
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C24H35N3O3/c1-3-25(4-2)22(28)17-19-18-24(21-8-6-5-7-20(19)21)9-11-26(12-10-24)23(29)27-13-15-30-16-14-27/h5-8,19H,3-4,9-18H2,1-2H3/t19-/m0/s1
InChIKeyXVZWLQSMEZTIBQ-IBGZPJMESA-N
XLogP3.22
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131652878
N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 131651770
2-[(1S)-1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-diethylacetamide
CID 97376186
N,N-diethyl-2-[1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131644637
N,N-diethyl-2-[1'-(1-methylpyrrole-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131661496
N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376154
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-[1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155837322
2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 131646499
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131649138

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 97400683) is N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is XVZWLQSMEZTIBQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H35N3O3/c1-3-25(4-2)22(28)17-19-18-24(21-8-6-5-7-20(19)21)9-11-26(12-10-24)23(29)27-13-15-30-16-14-27/h5-8,19H,3-4,9-18H2,1-2H3/t19-/m0/s1.
What are the key properties of N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 413.56 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 97400683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).