[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea

C16H21N3O3 — CID 56917337

IUPAC[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C16H21N3O3/c17-15(22)18-10-14(21)19-7-5-16(6-8-19)12-4-2-1-3-11(12)9-13(16)20/h1-4,13,20H,5-10H2,(H3,17,18,22)
InChIKeyBLJJNXURQLGNQJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.13
Rot. Bonds2

About [2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea

[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea (PubChem CID 56917337) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea
PubChem CID56917337
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C16H21N3O3/c17-15(22)18-10-14(21)19-7-5-16(6-8-19)12-4-2-1-3-11(12)9-13(16)20/h1-4,13,20H,5-10H2,(H3,17,18,22)
InChIKeyBLJJNXURQLGNQJ-UHFFFAOYSA-N
XLogP0.13
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea?
The IUPAC name of [2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea (CID 56917337) is [2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea.
What is the SMILES notation for [2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea?
The canonical SMILES for [2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea is NC(=O)NCC(=O)N1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of [2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea?
The InChIKey is BLJJNXURQLGNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-15(22)18-10-14(21)19-7-5-16(6-8-19)12-4-2-1-3-11(12)9-13(16)20/h1-4,13,20H,5-10H2,(H3,17,18,22).
What are the key properties of [2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea?
[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea has a molecular weight of 303.36 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]urea is sourced from PubChem (CID 56917337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).