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

C18H27N3O — CID 118744088

IUPAC1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea
SMILESCCN1CCC2(CC1)CC(NC(=O)NC)c1cc(C)ccc12
InChIInChI=1S/C18H27N3O/c1-4-21-9-7-18(8-10-21)12-16(20-17(22)19-3)14-11-13(2)5-6-15(14)18/h5-6,11,16H,4,7-10,12H2,1-3H3,(H2,19,20,22)
InChIKeyPNFJPFSMSRDUNM-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.72
Rot. Bonds2

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

1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea (PubChem CID 118744088) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea.

Molecular Properties

Compound Name1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea
PubChem CID118744088
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea
SMILESCCN1CCC2(CC1)CC(NC(=O)NC)c1cc(C)ccc12
InChIInChI=1S/C18H27N3O/c1-4-21-9-7-18(8-10-21)12-16(20-17(22)19-3)14-11-13(2)5-6-15(14)18/h5-6,11,16H,4,7-10,12H2,1-3H3,(H2,19,20,22)
InChIKeyPNFJPFSMSRDUNM-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea?
The IUPAC name of 1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea (CID 118744088) is 1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea.
What is the SMILES notation for 1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea?
The canonical SMILES for 1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea is CCN1CCC2(CC1)CC(NC(=O)NC)c1cc(C)ccc12.
What is the InChIKey of 1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea?
The InChIKey is PNFJPFSMSRDUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-21-9-7-18(8-10-21)12-16(20-17(22)19-3)14-11-13(2)5-6-15(14)18/h5-6,11,16H,4,7-10,12H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea?
1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea has a molecular weight of 301.43 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea is sourced from PubChem (CID 118744088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).