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

C22H31N3O3 — CID 131642774

IUPACN,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCN(C)C(=O)CC1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C22H31N3O3/c1-23(2)20(26)15-17-16-22(19-6-4-3-5-18(17)19)7-9-24(10-8-22)21(27)25-11-13-28-14-12-25/h3-6,17H,7-16H2,1-2H3
InChIKeyWZXXWCABKUHVEW-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.44
Rot. Bonds2

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

N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 131642774) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID131642774
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCN(C)C(=O)CC1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C22H31N3O3/c1-23(2)20(26)15-17-16-22(19-6-4-3-5-18(17)19)7-9-24(10-8-22)21(27)25-11-13-28-14-12-25/h3-6,17H,7-16H2,1-2H3
InChIKeyWZXXWCABKUHVEW-UHFFFAOYSA-N
XLogP2.44
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 131642774) is N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CN(C)C(=O)CC1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is WZXXWCABKUHVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-23(2)20(26)15-17-16-22(19-6-4-3-5-18(17)19)7-9-24(10-8-22)21(27)25-11-13-28-14-12-25/h3-6,17H,7-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 131642774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).