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]

C84H105N11O7S — CID 160611884

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-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]
SMILESCC(C)N1C(=O)C2(CCNCC2)c2cc(NCc3ccccc3)ccc21.CN1C(=O)C2(CCNCC2)N=C(c2ccccc2)c2ccccc21.COc1cc2c(cc1C)C1(CCNCC1)C(=O)N2C(C)C.CS(=O)(=O)N1CC2(CCNCC2)c2ccccc21.c1ccc2c(c1)OCC21CCNCC1
InChIInChI=1S/C22H27N3O.C20H21N3O.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;1-23-17-10-6-5-9-16(17)18(15-7-3-2-4-8-15)22-20(19(23)24)11-13-21-14-12-20;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;2-10,21H,11-14H2,1H3;9-11,18H,5-8H2,1-4H3;2-5,14H,6-10H2,1H3;1-4,13H,5-9H2
InChIKeyRFPCEYCDPHXYIX-UHFFFAOYSA-N
MW1412.90 g/mol
LogP11.46
Rot. Bonds8

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-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]

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] (PubChem CID 160611884) has the molecular formula C84H105N11O7S and a molecular weight of 1412.90 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-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].

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-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]
PubChem CID160611884
Molecular FormulaC84H105N11O7S
Molecular Weight1412.90 g/mol
Exact Mass1411.79
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-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]
SMILESCC(C)N1C(=O)C2(CCNCC2)c2cc(NCc3ccccc3)ccc21.CN1C(=O)C2(CCNCC2)N=C(c2ccccc2)c2ccccc21.COc1cc2c(cc1C)C1(CCNCC1)C(=O)N2C(C)C.CS(=O)(=O)N1CC2(CCNCC2)c2ccccc21.c1ccc2c(c1)OCC21CCNCC1
InChIInChI=1S/C22H27N3O.C20H21N3O.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;1-23-17-10-6-5-9-16(17)18(15-7-3-2-4-8-15)22-20(19(23)24)11-13-21-14-12-20;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;2-10,21H,11-14H2,1H3;9-11,18H,5-8H2,1-4H3;2-5,14H,6-10H2,1H3;1-4,13H,5-9H2
InChIKeyRFPCEYCDPHXYIX-UHFFFAOYSA-N
XLogP11.46
TPSA201.31 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001412.90
LogP ≤ 511.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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-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] with MolForge

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Related Compounds

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

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-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]?
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-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) 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-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].
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-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]?
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-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] is CC(C)N1C(=O)C2(CCNCC2)c2cc(NCc3ccccc3)ccc21.CN1C(=O)C2(CCNCC2)N=C(c2ccccc2)c2ccccc21.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-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]?
The InChIKey is RFPCEYCDPHXYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O.C20H21N3O.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;1-23-17-10-6-5-9-16(17)18(15-7-3-2-4-8-15)22-20(19(23)24)11-13-21-14-12-20;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;2-10,21H,11-14H2,1H3;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-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]?
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] has a molecular weight of 1412.90 g/mol, XLogP of 11.46, 8 rotatable bonds, 6 hydrogen bond donors, and 14 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-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] is sourced from PubChem (CID 160611884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).