1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone

C79H89F3N6O6 — CID 157414943

IUPAC1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
SMILESCC(=O)c1cn(CC(C)CN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.O=C(c1ccccc1)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1
InChIInChI=1S/C28H34N2O2.C26H30N2O2.C25H25F3N2O2/c1-21(2)19-27(31)25-20-30(26-12-7-6-11-24(25)26)16-8-15-29-17-13-23(14-18-29)28(32)22-9-4-3-5-10-22;1-19(17-28-18-24(20(2)29)23-10-6-7-11-25(23)28)16-27-14-12-22(13-15-27)26(30)21-8-4-3-5-9-21;26-25(27,28)24(32)21-17-30(22-10-5-4-9-20(21)22)14-6-13-29-15-11-19(12-16-29)23(31)18-7-2-1-3-8-18/h3-7,9-12,20-21,23H,8,13-19H2,1-2H3;3-11,18-19,22H,12-17H2,1-2H3;1-5,7-10,17,19H,6,11-16H2
InChIKeyBOSRVCPDYHDWTP-UHFFFAOYSA-N
MW1275.61 g/mol
LogP16.30
Rot. Bonds23

About 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone

1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone (PubChem CID 157414943) has the molecular formula C79H89F3N6O6 and a molecular weight of 1275.61 g/mol. Its IUPAC name is 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
PubChem CID157414943
Molecular FormulaC79H89F3N6O6
Molecular Weight1275.61 g/mol
Exact Mass1274.68
IUPAC Name1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
SMILESCC(=O)c1cn(CC(C)CN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.O=C(c1ccccc1)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1
InChIInChI=1S/C28H34N2O2.C26H30N2O2.C25H25F3N2O2/c1-21(2)19-27(31)25-20-30(26-12-7-6-11-24(25)26)16-8-15-29-17-13-23(14-18-29)28(32)22-9-4-3-5-10-22;1-19(17-28-18-24(20(2)29)23-10-6-7-11-25(23)28)16-27-14-12-22(13-15-27)26(30)21-8-4-3-5-9-21;26-25(27,28)24(32)21-17-30(22-10-5-4-9-20(21)22)14-6-13-29-15-11-19(12-16-29)23(31)18-7-2-1-3-8-18/h3-7,9-12,20-21,23H,8,13-19H2,1-2H3;3-11,18-19,22H,12-17H2,1-2H3;1-5,7-10,17,19H,6,11-16H2
InChIKeyBOSRVCPDYHDWTP-UHFFFAOYSA-N
XLogP16.30
TPSA126.93 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001275.61
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

AM-1248
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5-Fluoro-AB-001
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(2,5-difluorophenyl){1-[(1-methyl-1H-indol-3-yl)methyl]piperidin-3-yl}methanone
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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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(2,4-Difluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone
CID 2360109
N-benzyl-2-[1-[[4-[[3-[2-(benzylamino)-2-oxoacetyl]indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-oxoacetamide
CID 53248813
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1-[1-[3-[3-(2-Oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
CID 54583797
N-benzyl-2-[1-[3-[3-[2-(benzylamino)-2-oxoacetyl]indol-1-yl]propyl]indol-3-yl]-2-oxoacetamide
CID 54583798
1-[1-[5-[3-(2-Oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
CID 54585713
1-[1-[6-[3-(2-Oxo-2-piperidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
CID 54586692

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone (CID 157414943) is 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone is CC(=O)c1cn(CC(C)CN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12.O=C(c1ccccc1)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.
What is the InChIKey of 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is BOSRVCPDYHDWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2.C26H30N2O2.C25H25F3N2O2/c1-21(2)19-27(31)25-20-30(26-12-7-6-11-24(25)26)16-8-15-29-17-13-23(14-18-29)28(32)22-9-4-3-5-10-22;1-19(17-28-18-24(20(2)29)23-10-6-7-11-25(23)28)16-27-14-12-22(13-15-27)26(30)21-8-4-3-5-9-21;26-25(27,28)24(32)21-17-30(22-10-5-4-9-20(21)22)14-6-13-29-15-11-19(12-16-29)23(31)18-7-2-1-3-8-18/h3-7,9-12,20-21,23H,8,13-19H2,1-2H3;3-11,18-19,22H,12-17H2,1-2H3;1-5,7-10,17,19H,6,11-16H2.
What are the key properties of 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?
1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 1275.61 g/mol, XLogP of 16.30, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-benzoylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 157414943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).