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

C18H27N3O — CID 118743340

IUPAC3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
SMILESCc1ccc2c(c1)C(NC(=O)N(C)C)CC21CCN(C)CC1
InChIInChI=1S/C18H27N3O/c1-13-5-6-15-14(11-13)16(19-17(22)20(2)3)12-18(15)7-9-21(4)10-8-18/h5-6,11,16H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyHMFTXKJUUBUJHX-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.67
Rot. Bonds1

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

3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea (PubChem CID 118743340) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
PubChem CID118743340
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
SMILESCc1ccc2c(c1)C(NC(=O)N(C)C)CC21CCN(C)CC1
InChIInChI=1S/C18H27N3O/c1-13-5-6-15-14(11-13)16(19-17(22)20(2)3)12-18(15)7-9-21(4)10-8-18/h5-6,11,16H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyHMFTXKJUUBUJHX-UHFFFAOYSA-N
XLogP2.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea with MolForge

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Related Compounds

1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 3129766
3-(9H-fluoren-9-yl)-1,1-dimethylurea
CID 950587
1-Methyl-1-(1-methylpiperidin-4-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 808435
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044930
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044931
1-(2,5-dimethylbenzyl)tetrahydropyrimidin-2(1H)-one
CID 3239361
2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 4072352
N-(2,3-dihydro-1H-inden-2-yl)-4-isopropylpiperazine-1-carboxamide
CID 44418559
N-(2,3-dihydro-1H-inden-2-yl)-4-ethylpiperazine-1-carboxamide
CID 44418565
N-9H-fluoren-9-yl-1-piperidinecarboxamide
CID 1121624
1-[2-(4-Indan-1-yl-piperazin-1-yl)-ethyl]-imidazolidin-2-one
CID 14208336
US20240010639, Example 9
CID 171034309

Frequently Asked Questions

What is the IUPAC name of 3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea (CID 118743340) is 3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea is Cc1ccc2c(c1)C(NC(=O)N(C)C)CC21CCN(C)CC1.
What is the InChIKey of 3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
The InChIKey is HMFTXKJUUBUJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13-5-6-15-14(11-13)16(19-17(22)20(2)3)12-18(15)7-9-21(4)10-8-18/h5-6,11,16H,7-10,12H2,1-4H3,(H,19,22).
What are the key properties of 3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea has a molecular weight of 301.43 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1',6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea is sourced from PubChem (CID 118743340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).