1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C116H131N9O14 — CID 158255448

IUPAC1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(=O)c1cn(CCCN2CCC3(CC2)CC(=O)c2ccccc2O3)c2c(C)cccc12.CCN(CC)C(=O)C1CCCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)C1.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12
InChIInChI=1S/C33H34N2O4.C32H32N2O4.C27H30N2O3.C24H35N3O3/c1-38-31-14-7-12-25-27(28(36)21-24-9-3-2-4-10-24)23-35(32(25)31)18-8-17-34-19-15-33(16-20-34)22-29(37)26-11-5-6-13-30(26)39-33;1-37-29-14-7-12-24-26(31(36)23-9-3-2-4-10-23)22-34(30(24)29)18-8-17-33-19-15-32(16-20-33)21-27(35)25-11-5-6-13-28(25)38-32;1-19-7-5-9-21-23(20(2)30)18-29(26(19)21)14-6-13-28-15-11-27(12-16-28)17-24(31)22-8-3-4-10-25(22)32-27;1-5-26(6-2)24(29)19-10-8-13-25(16-19)14-9-15-27-17-21(18(3)28)20-11-7-12-22(30-4)23(20)27/h2-7,9-14,23H,8,15-22H2,1H3;2-7,9-14,22H,8,15-21H2,1H3;3-5,7-10,18H,6,11-17H2,1-2H3;7,11-12,17,19H,5-6,8-10,13-16H2,1-4H3
InChIKeyGHFOIZPXHVMNNG-UHFFFAOYSA-N
MW1875.37 g/mol
LogP20.60
Rot. Bonds29

About 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one

1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 158255448) has the molecular formula C116H131N9O14 and a molecular weight of 1875.37 g/mol. Its IUPAC name is 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID158255448
Molecular FormulaC116H131N9O14
Molecular Weight1875.37 g/mol
Exact Mass1873.98
IUPAC Name1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(=O)c1cn(CCCN2CCC3(CC2)CC(=O)c2ccccc2O3)c2c(C)cccc12.CCN(CC)C(=O)C1CCCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)C1.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12
InChIInChI=1S/C33H34N2O4.C32H32N2O4.C27H30N2O3.C24H35N3O3/c1-38-31-14-7-12-25-27(28(36)21-24-9-3-2-4-10-24)23-35(32(25)31)18-8-17-34-19-15-33(16-20-34)22-29(37)26-11-5-6-13-30(26)39-33;1-37-29-14-7-12-24-26(31(36)23-9-3-2-4-10-23)22-34(30(24)29)18-8-17-33-19-15-32(16-20-33)21-27(35)25-11-5-6-13-28(25)38-32;1-19-7-5-9-21-23(20(2)30)18-29(26(19)21)14-6-13-28-15-11-27(12-16-28)17-24(31)22-8-3-4-10-25(22)32-27;1-5-26(6-2)24(29)19-10-8-13-25(16-19)14-9-15-27-17-21(18(3)28)20-11-7-12-22(30-4)23(20)27/h2-7,9-14,23H,8,15-22H2,1H3;2-7,9-14,22H,8,15-21H2,1H3;3-5,7-10,18H,6,11-17H2,1-2H3;7,11-12,17,19H,5-6,8-10,13-16H2,1-4H3
InChIKeyGHFOIZPXHVMNNG-UHFFFAOYSA-N
XLogP20.60
TPSA227.86 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001875.37
LogP ≤ 520.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
CID 161132411
[2-Methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone;[2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-5-ylmethanone
CID 23043682
1'-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 58967573
1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 58967865
7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide
CID 58967886
1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 58968036
1'-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 58968049
7-methoxy-N-(2-methylpropyl)-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide
CID 58968387
Bis[3-[4-[1-(cyclohexylmethyl)-7-methoxyindole-3-carbonyl]-2-methylpiperazin-1-yl]propoxy]-oxoazanium
CID 90376409
Bis[2-[1-(cyclohexylmethyl)-3-(3,4-dimethylpiperazine-1-carbonyl)indol-7-yl]oxyethoxy]-oxoazanium
CID 90376537
1'-[(2R)-3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143502812
2-[3-[5-[3-(1,3-Benzoxazol-2-yl)phenyl]-3-pyridinyl]phenyl]-6-[2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazole
CID 144435555

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 158255448) is 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one is CC(=O)c1cn(CCCN2CCC3(CC2)CC(=O)c2ccccc2O3)c2c(C)cccc12.CCN(CC)C(=O)C1CCCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)C1.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12.
What is the InChIKey of 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is GHFOIZPXHVMNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4.C32H32N2O4.C27H30N2O3.C24H35N3O3/c1-38-31-14-7-12-25-27(28(36)21-24-9-3-2-4-10-24)23-35(32(25)31)18-8-17-34-19-15-33(16-20-34)22-29(37)26-11-5-6-13-30(26)39-33;1-37-29-14-7-12-24-26(31(36)23-9-3-2-4-10-23)22-34(30(24)29)18-8-17-33-19-15-32(16-20-33)21-27(35)25-11-5-6-13-28(25)38-32;1-19-7-5-9-21-23(20(2)30)18-29(26(19)21)14-6-13-28-15-11-27(12-16-28)17-24(31)22-8-3-4-10-25(22)32-27;1-5-26(6-2)24(29)19-10-8-13-25(16-19)14-9-15-27-17-21(18(3)28)20-11-7-12-22(30-4)23(20)27/h2-7,9-14,23H,8,15-22H2,1H3;2-7,9-14,22H,8,15-21H2,1H3;3-5,7-10,18H,6,11-17H2,1-2H3;7,11-12,17,19H,5-6,8-10,13-16H2,1-4H3.
What are the key properties of 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 1875.37 g/mol, XLogP of 20.60, 29 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1'-[3-(3-acetyl-7-methylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one;1'-[3-[7-methoxy-3-(2-phenylacetyl)indol-1-yl]propyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 158255448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).