3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea

C19H27N3O2 — CID 118739340

IUPAC3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
SMILESCC(=O)N1CCC2(CC1)CC(NC(=O)N(C)C)c1cc(C)ccc12
InChIInChI=1S/C19H27N3O2/c1-13-5-6-16-15(11-13)17(20-18(24)21(3)4)12-19(16)7-9-22(10-8-19)14(2)23/h5-6,11,17H,7-10,12H2,1-4H3,(H,20,24)
InChIKeyZYQZJHYCUJPMTK-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.59
Rot. Bonds1

About 3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea

3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea (PubChem CID 118739340) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
PubChem CID118739340
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
SMILESCC(=O)N1CCC2(CC1)CC(NC(=O)N(C)C)c1cc(C)ccc12
InChIInChI=1S/C19H27N3O2/c1-13-5-6-16-15(11-13)17(20-18(24)21(3)4)12-19(16)7-9-22(10-8-19)14(2)23/h5-6,11,17H,7-10,12H2,1-4H3,(H,20,24)
InChIKeyZYQZJHYCUJPMTK-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea (CID 118739340) is 3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea is CC(=O)N1CCC2(CC1)CC(NC(=O)N(C)C)c1cc(C)ccc12.
What is the InChIKey of 3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
The InChIKey is ZYQZJHYCUJPMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-5-6-16-15(11-13)17(20-18(24)21(3)4)12-19(16)7-9-22(10-8-19)14(2)23/h5-6,11,17H,7-10,12H2,1-4H3,(H,20,24).
What are the key properties of 3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea has a molecular weight of 329.44 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1'-acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea is sourced from PubChem (CID 118739340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).