N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

C113H120N12O15 — CID 159761146

IUPACN-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCC1=C(C)C(=O)c2c(-c3ccccc3NC(=O)c3ccc(OCCN4CCCCC4)cc3)c[nH]c2C1=O.O=C(Nc1ccccc1-c1c[nH]c2c1C(=O)CCC2=O)c1ccc(OCCN2CCCCC2)cc1.O=C(Nc1ccccc1-c1c[nH]c2c1CCCC2=O)c1ccc(OCCN2CCCCC2)cc1.O=C(Nc1ccccc1-c1c[nH]c2c1CCOC2=O)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C30H31N3O4.C28H29N3O4.C28H31N3O3.C27H29N3O4/c1-19-20(2)29(35)27-26(28(19)34)24(18-31-27)23-8-4-5-9-25(23)32-30(36)21-10-12-22(13-11-21)37-17-16-33-14-6-3-7-15-33;32-24-12-13-25(33)27-26(24)22(18-29-27)21-6-2-3-7-23(21)30-28(34)19-8-10-20(11-9-19)35-17-16-31-14-4-1-5-15-31;32-26-10-6-8-23-24(19-29-27(23)26)22-7-2-3-9-25(22)30-28(33)20-11-13-21(14-12-20)34-18-17-31-15-4-1-5-16-31;31-26(19-8-10-20(11-9-19)33-17-15-30-13-4-1-5-14-30)29-24-7-3-2-6-21(24)23-18-28-25-22(23)12-16-34-27(25)32/h4-5,8-13,18,31H,3,6-7,14-17H2,1-2H3,(H,32,36);2-3,6-11,18,29H,1,4-5,12-17H2,(H,30,34);2-3,7,9,11-14,19,29H,1,4-6,8,10,15-18H2,(H,30,33);2-3,6-11,18,28H,1,4-5,12-17H2,(H,29,31)
InChIKeyNEWYZHWTQUYGBW-UHFFFAOYSA-N
MW1886.27 g/mol
LogP20.30
Rot. Bonds28

About N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 159761146) has the molecular formula C113H120N12O15 and a molecular weight of 1886.27 g/mol. Its IUPAC name is N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
PubChem CID159761146
Molecular FormulaC113H120N12O15
Molecular Weight1886.27 g/mol
Exact Mass1884.90
IUPAC NameN-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCC1=C(C)C(=O)c2c(-c3ccccc3NC(=O)c3ccc(OCCN4CCCCC4)cc3)c[nH]c2C1=O.O=C(Nc1ccccc1-c1c[nH]c2c1C(=O)CCC2=O)c1ccc(OCCN2CCCCC2)cc1.O=C(Nc1ccccc1-c1c[nH]c2c1CCCC2=O)c1ccc(OCCN2CCCCC2)cc1.O=C(Nc1ccccc1-c1c[nH]c2c1CCOC2=O)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C30H31N3O4.C28H29N3O4.C28H31N3O3.C27H29N3O4/c1-19-20(2)29(35)27-26(28(19)34)24(18-31-27)23-8-4-5-9-25(23)32-30(36)21-10-12-22(13-11-21)37-17-16-33-14-6-3-7-15-33;32-24-12-13-25(33)27-26(24)22(18-29-27)21-6-2-3-7-23(21)30-28(34)19-8-10-20(11-9-19)35-17-16-31-14-4-1-5-15-31;32-26-10-6-8-23-24(19-29-27(23)26)22-7-2-3-9-25(22)30-28(33)20-11-13-21(14-12-20)34-18-17-31-15-4-1-5-16-31;31-26(19-8-10-20(11-9-19)33-17-15-30-13-4-1-5-14-30)29-24-7-3-2-6-21(24)23-18-28-25-22(23)12-16-34-27(25)32/h4-5,8-13,18,31H,3,6-7,14-17H2,1-2H3,(H,32,36);2-3,6-11,18,29H,1,4-5,12-17H2,(H,30,34);2-3,7,9,11-14,19,29H,1,4-6,8,10,15-18H2,(H,30,33);2-3,6-11,18,28H,1,4-5,12-17H2,(H,29,31)
InChIKeyNEWYZHWTQUYGBW-UHFFFAOYSA-N
XLogP20.30
TPSA341.09 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001886.27
LogP ≤ 520.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide with MolForge

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Related Compounds

N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434976
methylidene-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-[4-(2-piperidin-1-ylethoxy)benzoyl]azanium
CID 166090269
N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434898
N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090227
N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434941
N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434958
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 122639089
N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090288
(1Z)-1-[hydroxy-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-3,4-dihydronaphthalen-2-one
CID 10270079
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-methyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 15137005
4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide
CID 159304007

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (CID 159761146) is N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is CC1=C(C)C(=O)c2c(-c3ccccc3NC(=O)c3ccc(OCCN4CCCCC4)cc3)c[nH]c2C1=O.O=C(Nc1ccccc1-c1c[nH]c2c1C(=O)CCC2=O)c1ccc(OCCN2CCCCC2)cc1.O=C(Nc1ccccc1-c1c[nH]c2c1CCCC2=O)c1ccc(OCCN2CCCCC2)cc1.O=C(Nc1ccccc1-c1c[nH]c2c1CCOC2=O)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is NEWYZHWTQUYGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4.C28H29N3O4.C28H31N3O3.C27H29N3O4/c1-19-20(2)29(35)27-26(28(19)34)24(18-31-27)23-8-4-5-9-25(23)32-30(36)21-10-12-22(13-11-21)37-17-16-33-14-6-3-7-15-33;32-24-12-13-25(33)27-26(24)22(18-29-27)21-6-2-3-7-23(21)30-28(34)19-8-10-20(11-9-19)35-17-16-31-14-4-1-5-15-31;32-26-10-6-8-23-24(19-29-27(23)26)22-7-2-3-9-25(22)30-28(33)20-11-13-21(14-12-20)34-18-17-31-15-4-1-5-16-31;31-26(19-8-10-20(11-9-19)33-17-15-30-13-4-1-5-14-30)29-24-7-3-2-6-21(24)23-18-28-25-22(23)12-16-34-27(25)32/h4-5,8-13,18,31H,3,6-7,14-17H2,1-2H3,(H,32,36);2-3,6-11,18,29H,1,4-5,12-17H2,(H,30,34);2-3,7,9,11-14,19,29H,1,4-6,8,10,15-18H2,(H,30,33);2-3,6-11,18,28H,1,4-5,12-17H2,(H,29,31).
What are the key properties of N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 1886.27 g/mol, XLogP of 20.30, 28 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethyl-4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(4,7-dioxo-5,6-dihydro-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-4,5-dihydro-1H-pyrano[3,4-b]pyrrol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide;N-[2-(7-oxo-1,4,5,6-tetrahydroindol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 159761146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).