1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine

C54H66N8O11 — CID 165092964

IUPAC1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine
SMILESC.C.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2CCCCC2c2ccccc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.c1ccc(C2CCCCN2)cc1
InChIInChI=1S/C26H28N4O5.C15H15N3O6.C11H15N.2CH4/c1-27-24(33)28-19-10-11-20-18(15-19)12-13-26(20)23(32)30(25(34)35-26)16-22(31)29-14-6-5-9-21(29)17-7-3-2-4-8-17;1-16-13(22)17-9-2-3-10-8(6-9)4-5-15(10)12(21)18(7-11(19)20)14(23)24-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h2-4,7-8,10-11,15,21H,5-6,9,12-14,16H2,1H3,(H2,27,28,33);2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,22);1-3,6-7,11-12H,4-5,8-9H2;2*1H4/t21?,26-;15-;;;/m11.../s1
InChIKeyXAGTWAUMTOKCHH-NFDQXKFRSA-N
MW1003.17 g/mol
LogP7.73
Rot. Bonds8

About 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine

1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine (PubChem CID 165092964) has the molecular formula C54H66N8O11 and a molecular weight of 1003.17 g/mol. Its IUPAC name is 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine.

Molecular Properties

Compound Name1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine
PubChem CID165092964
Molecular FormulaC54H66N8O11
Molecular Weight1003.17 g/mol
Exact Mass1002.49
IUPAC Name1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine
SMILESC.C.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2CCCCC2c2ccccc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.c1ccc(C2CCCCN2)cc1
InChIInChI=1S/C26H28N4O5.C15H15N3O6.C11H15N.2CH4/c1-27-24(33)28-19-10-11-20-18(15-19)12-13-26(20)23(32)30(25(34)35-26)16-22(31)29-14-6-5-9-21(29)17-7-3-2-4-8-17;1-16-13(22)17-9-2-3-10-8(6-9)4-5-15(10)12(21)18(7-11(19)20)14(23)24-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h2-4,7-8,10-11,15,21H,5-6,9,12-14,16H2,1H3,(H2,27,28,33);2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,22);1-3,6-7,11-12H,4-5,8-9H2;2*1H4/t21?,26-;15-;;;/m11.../s1
InChIKeyXAGTWAUMTOKCHH-NFDQXKFRSA-N
XLogP7.73
TPSA245.12 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001003.17
LogP ≤ 57.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine?
The IUPAC name of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine (CID 165092964) is 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine.
What is the SMILES notation for 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine?
The canonical SMILES for 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine is C.C.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2CCCCC2c2ccccc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.c1ccc(C2CCCCN2)cc1.
What is the InChIKey of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine?
The InChIKey is XAGTWAUMTOKCHH-NFDQXKFRSA-N. The full InChI is InChI=1S/C26H28N4O5.C15H15N3O6.C11H15N.2CH4/c1-27-24(33)28-19-10-11-20-18(15-19)12-13-26(20)23(32)30(25(34)35-26)16-22(31)29-14-6-5-9-21(29)17-7-3-2-4-8-17;1-16-13(22)17-9-2-3-10-8(6-9)4-5-15(10)12(21)18(7-11(19)20)14(23)24-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h2-4,7-8,10-11,15,21H,5-6,9,12-14,16H2,1H3,(H2,27,28,33);2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,22);1-3,6-7,11-12H,4-5,8-9H2;2*1H4/t21?,26-;15-;;;/m11.../s1.
What are the key properties of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine?
1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine has a molecular weight of 1003.17 g/mol, XLogP of 7.73, 8 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;2-phenylpiperidine is sourced from PubChem (CID 165092964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).