1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea

C20H31N3O — CID 118743342

IUPAC1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
SMILESCc1ccc2c(c1)C(NC(=O)N(C)C)CC21CCN(C(C)C)CC1
InChIInChI=1S/C20H31N3O/c1-14(2)23-10-8-20(9-11-23)13-18(21-19(24)22(4)5)16-12-15(3)6-7-17(16)20/h6-7,12,14,18H,8-11,13H2,1-5H3,(H,21,24)
InChIKeyGIHBQUMEIKAMPZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.45
Rot. Bonds2

About 1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea

1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea (PubChem CID 118743342) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
PubChem CID118743342
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
SMILESCc1ccc2c(c1)C(NC(=O)N(C)C)CC21CCN(C(C)C)CC1
InChIInChI=1S/C20H31N3O/c1-14(2)23-10-8-20(9-11-23)13-18(21-19(24)22(4)5)16-12-15(3)6-7-17(16)20/h6-7,12,14,18H,8-11,13H2,1-5H3,(H,21,24)
InChIKeyGIHBQUMEIKAMPZ-UHFFFAOYSA-N
XLogP3.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea 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 1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea (CID 118743342) is 1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea is Cc1ccc2c(c1)C(NC(=O)N(C)C)CC21CCN(C(C)C)CC1.
What is the InChIKey of 1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
The InChIKey is GIHBQUMEIKAMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-14(2)23-10-8-20(9-11-23)13-18(21-19(24)22(4)5)16-12-15(3)6-7-17(16)20/h6-7,12,14,18H,8-11,13H2,1-5H3,(H,21,24).
What are the key properties of 1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea has a molecular weight of 329.49 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea is sourced from PubChem (CID 118743342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).