5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine]

C64H84N8O6S — CID 161250679

IUPAC5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCC(C)N1C(=O)C2(CCNCC2)c2cc(NCc3ccccc3)ccc21.COc1cc2c(cc1C)C1(CCNCC1)C(=O)N2C(C)C.CS(=O)(=O)N1CC2(CCNCC2)c2ccccc21.c1ccc2c(c1)OCC21CCNCC1
InChIInChI=1S/C22H27N3O.C17H24N2O2.C13H18N2O2S.C12H15NO/c1-16(2)25-20-9-8-18(24-15-17-6-4-3-5-7-17)14-19(20)22(21(25)26)10-12-23-13-11-22;1-11(2)19-14-10-15(21-4)12(3)9-13(14)17(16(19)20)5-7-18-8-6-17;1-18(16,17)15-10-13(6-8-14-9-7-13)11-4-2-3-5-12(11)15;1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h3-9,14,16,23-24H,10-13,15H2,1-2H3;9-11,18H,5-8H2,1-4H3;2-5,14H,6-10H2,1H3;1-4,13H,5-9H2
InChIKeyVBFONVQTJYZIIE-UHFFFAOYSA-N
MW1093.49 g/mol
LogP8.84
Rot. Bonds7

About 5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine]

5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine] (PubChem CID 161250679) has the molecular formula C64H84N8O6S and a molecular weight of 1093.49 g/mol. Its IUPAC name is 5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine]
PubChem CID161250679
Molecular FormulaC64H84N8O6S
Molecular Weight1093.49 g/mol
Exact Mass1092.62
IUPAC Name5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCC(C)N1C(=O)C2(CCNCC2)c2cc(NCc3ccccc3)ccc21.COc1cc2c(cc1C)C1(CCNCC1)C(=O)N2C(C)C.CS(=O)(=O)N1CC2(CCNCC2)c2ccccc21.c1ccc2c(c1)OCC21CCNCC1
InChIInChI=1S/C22H27N3O.C17H24N2O2.C13H18N2O2S.C12H15NO/c1-16(2)25-20-9-8-18(24-15-17-6-4-3-5-7-17)14-19(20)22(21(25)26)10-12-23-13-11-22;1-11(2)19-14-10-15(21-4)12(3)9-13(14)17(16(19)20)5-7-18-8-6-17;1-18(16,17)15-10-13(6-8-14-9-7-13)11-4-2-3-5-12(11)15;1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h3-9,14,16,23-24H,10-13,15H2,1-2H3;9-11,18H,5-8H2,1-4H3;2-5,14H,6-10H2,1H3;1-4,13H,5-9H2
InChIKeyVBFONVQTJYZIIE-UHFFFAOYSA-N
XLogP8.84
TPSA156.61 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001093.49
LogP ≤ 58.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine] with MolForge

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Related Compounds

6-ethoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one
CID 158101988
6-ethoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;molecular hydrogen;1,3,3,6-tetramethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one
CID 160288000
5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methyl-5-phenylspiro[1,4-benzodiazepine-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine]
CID 160611884

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine] (CID 161250679) is 5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine] is CC(C)N1C(=O)C2(CCNCC2)c2cc(NCc3ccccc3)ccc21.COc1cc2c(cc1C)C1(CCNCC1)C(=O)N2C(C)C.CS(=O)(=O)N1CC2(CCNCC2)c2ccccc21.c1ccc2c(c1)OCC21CCNCC1.
What is the InChIKey of 5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is VBFONVQTJYZIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O.C17H24N2O2.C13H18N2O2S.C12H15NO/c1-16(2)25-20-9-8-18(24-15-17-6-4-3-5-7-17)14-19(20)22(21(25)26)10-12-23-13-11-22;1-11(2)19-14-10-15(21-4)12(3)9-13(14)17(16(19)20)5-7-18-8-6-17;1-18(16,17)15-10-13(6-8-14-9-7-13)11-4-2-3-5-12(11)15;1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h3-9,14,16,23-24H,10-13,15H2,1-2H3;9-11,18H,5-8H2,1-4H3;2-5,14H,6-10H2,1H3;1-4,13H,5-9H2.
What are the key properties of 5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine]?
5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 1093.49 g/mol, XLogP of 8.84, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-methoxy-5-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;1-methylsulfonylspiro[2H-indole-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 161250679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).