N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

C28H27N3O4 — CID 139434976

IUPACN-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESO=C(Nc1ccccc1-c1c[nH]c2c1C(=O)C=CC2=O)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C28H27N3O4/c32-24-12-13-25(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/h2-3,6-13,18,29H,1,4-5,14-17H2,(H,30,34)
InChIKeyLCTAVAZHIJHRDL-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.73
Rot. Bonds7

About N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 139434976) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
PubChem CID139434976
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESO=C(Nc1ccccc1-c1c[nH]c2c1C(=O)C=CC2=O)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C28H27N3O4/c32-24-12-13-25(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/h2-3,6-13,18,29H,1,4-5,14-17H2,(H,30,34)
InChIKeyLCTAVAZHIJHRDL-UHFFFAOYSA-N
XLogP4.73
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434898
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
N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434958
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-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090288
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide
CID 159304007
N-[2-amino-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70206920
4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide
CID 166090293
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
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (CID 139434976) is N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is O=C(Nc1ccccc1-c1c[nH]c2c1C(=O)C=CC2=O)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is LCTAVAZHIJHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c32-24-12-13-25(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/h2-3,6-13,18,29H,1,4-5,14-17H2,(H,30,34).
What are the key properties of N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 469.54 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 139434976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).