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

C16H23N3O — CID 118739047

IUPAC1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
SMILESCNC(=O)NC1CC2(CCNCC2)c2ccc(C)cc21
InChIInChI=1S/C16H23N3O/c1-11-3-4-13-12(9-11)14(19-15(20)17-2)10-16(13)5-7-18-8-6-16/h3-4,9,14,18H,5-8,10H2,1-2H3,(H2,17,19,20)
InChIKeyAGJBLCRSFRUIJG-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.99
Rot. Bonds1

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

1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea (PubChem CID 118739047) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
PubChem CID118739047
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
SMILESCNC(=O)NC1CC2(CCNCC2)c2ccc(C)cc21
InChIInChI=1S/C16H23N3O/c1-11-3-4-13-12(9-11)14(19-15(20)17-2)10-16(13)5-7-18-8-6-16/h3-4,9,14,18H,5-8,10H2,1-2H3,(H2,17,19,20)
InChIKeyAGJBLCRSFRUIJG-UHFFFAOYSA-N
XLogP1.99
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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-[(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
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
N-[1-(3-isopropenylphenyl)-1-methylethyl]-N'-(2,2,6,6-tetramethyl-4-piperidinyl)urea
CID 1158600
1-[2-[4-[(1S,3R)-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
CID 44312052

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
The IUPAC name of 1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea (CID 118739047) is 1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea.
What is the SMILES notation for 1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
The canonical SMILES for 1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea is CNC(=O)NC1CC2(CCNCC2)c2ccc(C)cc21.
What is the InChIKey of 1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
The InChIKey is AGJBLCRSFRUIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-3-4-13-12(9-11)14(19-15(20)17-2)10-16(13)5-7-18-8-6-16/h3-4,9,14,18H,5-8,10H2,1-2H3,(H2,17,19,20).
What are the key properties of 1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea has a molecular weight of 273.38 g/mol, XLogP of 1.99, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea is sourced from PubChem (CID 118739047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).