1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone

C70H101F3N6O3 — CID 157432115

IUPAC1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
SMILESCCCCC1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.CCCCC1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.CCCCC1CCN(CCCn2cc(C(=O)CC)c3ccccc32)CC1
InChIInChI=1S/C25H38N2O.C23H34N2O.C22H29F3N2O/c1-4-5-9-21-12-16-26(17-13-21)14-8-15-27-19-23(25(28)18-20(2)3)22-10-6-7-11-24(22)27;1-3-5-9-19-12-16-24(17-13-19)14-8-15-25-18-21(23(26)4-2)20-10-6-7-11-22(20)25;1-2-3-7-17-10-14-26(15-11-17)12-6-13-27-16-19(21(28)22(23,24)25)18-8-4-5-9-20(18)27/h6-7,10-11,19-21H,4-5,8-9,12-18H2,1-3H3;6-7,10-11,18-19H,3-5,8-9,12-17H2,1-2H3;4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3
InChIKeyBQQXPUKKBXINIL-UHFFFAOYSA-N
MW1131.61 g/mol
LogP17.37
Rot. Bonds27

About 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone

1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone (PubChem CID 157432115) has the molecular formula C70H101F3N6O3 and a molecular weight of 1131.61 g/mol. Its IUPAC name is 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
PubChem CID157432115
Molecular FormulaC70H101F3N6O3
Molecular Weight1131.61 g/mol
Exact Mass1130.79
IUPAC Name1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
SMILESCCCCC1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.CCCCC1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.CCCCC1CCN(CCCn2cc(C(=O)CC)c3ccccc32)CC1
InChIInChI=1S/C25H38N2O.C23H34N2O.C22H29F3N2O/c1-4-5-9-21-12-16-26(17-13-21)14-8-15-27-19-23(25(28)18-20(2)3)22-10-6-7-11-24(22)27;1-3-5-9-19-12-16-24(17-13-19)14-8-15-25-18-21(23(26)4-2)20-10-6-7-11-22(20)25;1-2-3-7-17-10-14-26(15-11-17)12-6-13-27-16-19(21(28)22(23,24)25)18-8-4-5-9-20(18)27/h6-7,10-11,19-21H,4-5,8-9,12-18H2,1-3H3;6-7,10-11,18-19H,3-5,8-9,12-17H2,1-2H3;4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3
InChIKeyBQQXPUKKBXINIL-UHFFFAOYSA-N
XLogP17.37
TPSA75.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.61
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

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(1-benzyl-1H-indol-3-yl)(2-fluorophenyl)methanone
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[1-(4-fluorobenzyl)-1H-indol-3-yl](2-fluorophenyl)methanone
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(2,5-difluorophenyl){1-[(1-methyl-1H-indol-3-yl)methyl]piperidin-3-yl}methanone
CID 16191835
1-(4-Fluoro-phenyl)-4-[2-(2-pyridin-2-yl-ethyl)-1,2,3,4-tetrahydro-beta-carbolin-9-yl]-butan-1-one
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[2-Methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]-phenylmethanone
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Methanone, (1-methyl-2-(1-methylethyl)-1H-indol-3-yl)-3-pyridinyl-
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CID 2348971
1-[1-[5-[3-(2-Oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
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(E)-1-(1-methylindol-3-yl)-3-(1-methylindol-5-yl)prop-2-en-1-one
CID 54754511
1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
CID 3150841

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone (CID 157432115) is 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone is CCCCC1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.CCCCC1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.CCCCC1CCN(CCCn2cc(C(=O)CC)c3ccccc32)CC1.
What is the InChIKey of 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is BQQXPUKKBXINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O.C23H34N2O.C22H29F3N2O/c1-4-5-9-21-12-16-26(17-13-21)14-8-15-27-19-23(25(28)18-20(2)3)22-10-6-7-11-24(22)27;1-3-5-9-19-12-16-24(17-13-19)14-8-15-25-18-21(23(26)4-2)20-10-6-7-11-22(20)25;1-2-3-7-17-10-14-26(15-11-17)12-6-13-27-16-19(21(28)22(23,24)25)18-8-4-5-9-20(18)27/h6-7,10-11,19-21H,4-5,8-9,12-18H2,1-3H3;6-7,10-11,18-19H,3-5,8-9,12-17H2,1-2H3;4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3.
What are the key properties of 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?
1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 1131.61 g/mol, XLogP of 17.37, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 157432115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).