N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide

C22H26N4O5 — CID 37177131

IUPACN-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1
InChIInChI=1S/C22H26N4O5/c1-15-7-8-17(26(29)30)13-19(15)23-21(27)14-25-11-9-16(10-12-25)22(28)24-18-5-3-4-6-20(18)31-2/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyKEIAJEZHFKQMGF-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.20
Rot. Bonds7

About N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide

N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 37177131) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID37177131
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1
InChIInChI=1S/C22H26N4O5/c1-15-7-8-17(26(29)30)13-19(15)23-21(27)14-25-11-9-16(10-12-25)22(28)24-18-5-3-4-6-20(18)31-2/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyKEIAJEZHFKQMGF-UHFFFAOYSA-N
XLogP3.20
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
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

1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8726259
1-[2-(4-iodoanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55680524
1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602
N-(2-methoxyphenyl)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 37177063
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688749
1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55680561
N-(2-methoxy-4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910362
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16910200

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 37177131) is N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is KEIAJEZHFKQMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-15-7-8-17(26(29)30)13-19(15)23-21(27)14-25-11-9-16(10-12-25)22(28)24-18-5-3-4-6-20(18)31-2/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 37177131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).