4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide

C21H22N4O4 — CID 37162780

IUPAC4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1
InChIInChI=1S/C21H22N4O4/c26-20(24-13-10-15-6-7-18(25(28)29)14-19(15)24)16-8-11-23(12-9-16)21(27)22-17-4-2-1-3-5-17/h1-7,14,16H,8-13H2,(H,22,27)
InChIKeyJUIOYSZQFQXSJM-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.43
Rot. Bonds3

About 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide

4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide (PubChem CID 37162780) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
PubChem CID37162780
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1
InChIInChI=1S/C21H22N4O4/c26-20(24-13-10-15-6-7-18(25(28)29)14-19(15)24)16-8-11-23(12-9-16)21(27)22-17-4-2-1-3-5-17/h1-7,14,16H,8-13H2,(H,22,27)
InChIKeyJUIOYSZQFQXSJM-UHFFFAOYSA-N
XLogP3.43
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 74650206
[1-(4-bromobenzoyl)piperidin-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 37161630
4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 27231869
4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134049478
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110427289
tert-butyl 4-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-1-carboxylate
CID 110630451
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905
1-[4-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 55483657
4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 55502038
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899074
[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 37161953
5-bromo-1-(cyclopropanecarbonyl)-N-(3-nitrophenyl)-2,3-dihydroindole-6-sulfonamide
CID 46504966

Frequently Asked Questions

What is the IUPAC name of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide (CID 37162780) is 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1.
What is the InChIKey of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is JUIOYSZQFQXSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c26-20(24-13-10-15-6-7-18(25(28)29)14-19(15)24)16-8-11-23(12-9-16)21(27)22-17-4-2-1-3-5-17/h1-7,14,16H,8-13H2,(H,22,27).
What are the key properties of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 37162780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).