3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone

C103H136N12O11 — CID 160923312

IUPAC3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone
SMILESC/C=C/c1ccc2c(c1)CCN2C1CCN(C(C)=O)CC1.CC(=O)N1CCC(N2CCc3c2ccc2c3C(=O)CC2)CC1.CC(=O)N1CCC(N2CCc3cc(CCCOO)ccc32)CC1.CC(=O)N1CCC(N2CCc3cc(CO)ccc32)CC1.CC(=O)N1CCC(N2CCc3cc4c(cc32)C(=O)CC4)CC1.CC(=O)N1CCC(N2CCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O3.2C18H22N2O2.C18H24N2O.C16H22N2O2.C15H20N2O/c1-14(21)19-9-7-17(8-10-19)20-11-6-16-13-15(3-2-12-23-22)4-5-18(16)20;1-12(21)19-9-6-14(7-10-19)20-11-8-15-16(20)4-2-13-3-5-17(22)18(13)15;1-12(21)19-7-5-15(6-8-19)20-9-4-14-10-13-2-3-18(22)16(13)11-17(14)20;1-3-4-15-5-6-18-16(13-15)7-12-20(18)17-8-10-19(11-9-17)14(2)21;1-12(20)17-7-5-15(6-8-17)18-9-4-14-10-13(11-19)2-3-16(14)18;1-12(18)16-9-7-14(8-10-16)17-11-6-13-4-2-3-5-15(13)17/h4-5,13,17,22H,2-3,6-12H2,1H3;2,4,14H,3,5-11H2,1H3;10-11,15H,2-9H2,1H3;3-6,13,17H,7-12H2,1-2H3;2-3,10,15,19H,4-9,11H2,1H3;2-5,14H,6-11H2,1H3/b;;;4-3+;;
InChIKeySSHTYRXRDHVGSY-KFSCDZFWSA-N
MW1718.29 g/mol
LogP13.57
Rot. Bonds12

About 3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone

3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone (PubChem CID 160923312) has the molecular formula C103H136N12O11 and a molecular weight of 1718.29 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone
PubChem CID160923312
Molecular FormulaC103H136N12O11
Molecular Weight1718.29 g/mol
Exact Mass1717.05
IUPAC Name3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone
SMILESC/C=C/c1ccc2c(c1)CCN2C1CCN(C(C)=O)CC1.CC(=O)N1CCC(N2CCc3c2ccc2c3C(=O)CC2)CC1.CC(=O)N1CCC(N2CCc3cc(CCCOO)ccc32)CC1.CC(=O)N1CCC(N2CCc3cc(CO)ccc32)CC1.CC(=O)N1CCC(N2CCc3cc4c(cc32)C(=O)CC4)CC1.CC(=O)N1CCC(N2CCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O3.2C18H22N2O2.C18H24N2O.C16H22N2O2.C15H20N2O/c1-14(21)19-9-7-17(8-10-19)20-11-6-16-13-15(3-2-12-23-22)4-5-18(16)20;1-12(21)19-9-6-14(7-10-19)20-11-8-15-16(20)4-2-13-3-5-17(22)18(13)15;1-12(21)19-7-5-15(6-8-19)20-9-4-14-10-13-2-3-18(22)16(13)11-17(14)20;1-3-4-15-5-6-18-16(13-15)7-12-20(18)17-8-10-19(11-9-17)14(2)21;1-12(20)17-7-5-15(6-8-17)18-9-4-14-10-13(11-19)2-3-16(14)18;1-12(18)16-9-7-14(8-10-16)17-11-6-13-4-2-3-5-15(13)17/h4-5,13,17,22H,2-3,6-12H2,1H3;2,4,14H,3,5-11H2,1H3;10-11,15H,2-9H2,1H3;3-6,13,17H,7-12H2,1-2H3;2-3,10,15,19H,4-9,11H2,1H3;2-5,14H,6-11H2,1H3/b;;;4-3+;;
InChIKeySSHTYRXRDHVGSY-KFSCDZFWSA-N
XLogP13.57
TPSA225.13 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001718.29
LogP ≤ 513.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone (CID 160923312) is 3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone is C/C=C/c1ccc2c(c1)CCN2C1CCN(C(C)=O)CC1.CC(=O)N1CCC(N2CCc3c2ccc2c3C(=O)CC2)CC1.CC(=O)N1CCC(N2CCc3cc(CCCOO)ccc32)CC1.CC(=O)N1CCC(N2CCc3cc(CO)ccc32)CC1.CC(=O)N1CCC(N2CCc3cc4c(cc32)C(=O)CC4)CC1.CC(=O)N1CCC(N2CCc3ccccc32)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is SSHTYRXRDHVGSY-KFSCDZFWSA-N. The full InChI is InChI=1S/C18H26N2O3.2C18H22N2O2.C18H24N2O.C16H22N2O2.C15H20N2O/c1-14(21)19-9-7-17(8-10-19)20-11-6-16-13-15(3-2-12-23-22)4-5-18(16)20;1-12(21)19-9-6-14(7-10-19)20-11-8-15-16(20)4-2-13-3-5-17(22)18(13)15;1-12(21)19-7-5-15(6-8-19)20-9-4-14-10-13-2-3-18(22)16(13)11-17(14)20;1-3-4-15-5-6-18-16(13-15)7-12-20(18)17-8-10-19(11-9-17)14(2)21;1-12(20)17-7-5-15(6-8-17)18-9-4-14-10-13(11-19)2-3-16(14)18;1-12(18)16-9-7-14(8-10-16)17-11-6-13-4-2-3-5-15(13)17/h4-5,13,17,22H,2-3,6-12H2,1H3;2,4,14H,3,5-11H2,1H3;10-11,15H,2-9H2,1H3;3-6,13,17H,7-12H2,1-2H3;2-3,10,15,19H,4-9,11H2,1H3;2-5,14H,6-11H2,1H3/b;;;4-3+;;.
What are the key properties of 3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone?
3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 1718.29 g/mol, XLogP of 13.57, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-1,2,6,7-tetrahydrocyclopenta[e]indol-8-one;1-(1-acetylpiperidin-4-yl)-2,3,5,6-tetrahydrocyclopenta[f]indol-7-one;1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethanone;1-[4-[5-(3-hydroperoxypropyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone;1-[4-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 160923312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).