2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone

C24H27N3O6 — CID 37162660

IUPAC2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C24H27N3O6/c1-2-32-22-14-18(7-9-21(22)33-16-23(28)25-11-4-3-5-12-25)24(29)26-13-10-17-6-8-19(27(30)31)15-20(17)26/h6-9,14-15H,2-5,10-13,16H2,1H3
InChIKeyUEGJMDXMCRZXLT-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.59
Rot. Bonds7

About 2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone

2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone (PubChem CID 37162660) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
PubChem CID37162660
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Name2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C24H27N3O6/c1-2-32-22-14-18(7-9-21(22)33-16-23(28)25-11-4-3-5-12-25)24(29)26-13-10-17-6-8-19(27(30)31)15-20(17)26/h6-9,14-15H,2-5,10-13,16H2,1H3
InChIKeyUEGJMDXMCRZXLT-UHFFFAOYSA-N
XLogP3.59
TPSA102.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 42997091
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
2-[4-(2,3-dihydroindole-1-carbonyl)-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 8012463
2-[2-ethoxy-4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 43059989
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
(6-nitro-2,3-dihydroindol-1-yl)-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 16582546
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42975907
3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 37161738
2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 31754660
[2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-nitrobenzoate
CID 1127216
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064079

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone (CID 37162660) is 2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone is CCOc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is UEGJMDXMCRZXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-2-32-22-14-18(7-9-21(22)33-16-23(28)25-11-4-3-5-12-25)24(29)26-13-10-17-6-8-19(27(30)31)15-20(17)26/h6-9,14-15H,2-5,10-13,16H2,1H3.
What are the key properties of 2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone?
2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 453.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 37162660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).