N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide

C19H28N4O5 — CID 55988605

IUPACN-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H28N4O5/c1-21(16-4-6-17(7-5-16)23(26)27)18(24)14-22-11-8-15(9-12-22)19(25)20-10-3-13-28-2/h4-7,15H,3,8-14H2,1-2H3,(H,20,25)
InChIKeyZFYMDJDWRWRCIJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.42
Rot. Bonds9

About N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 55988605) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID55988605
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC NameN-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H28N4O5/c1-21(16-4-6-17(7-5-16)23(26)27)18(24)14-22-11-8-15(9-12-22)19(25)20-10-3-13-28-2/h4-7,15H,3,8-14H2,1-2H3,(H,20,25)
InChIKeyZFYMDJDWRWRCIJ-UHFFFAOYSA-N
XLogP1.42
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 125145382
3-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-methyl-1-(4-nitrophenyl)urea
CID 97061504
4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49448796
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
2-(1,4-diazepan-1-yl)-N-methyl-N-(4-nitrophenyl)acetamide;hydrochloride
CID 119906424
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55989659
N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902359
N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
CID 55988482
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
(2S)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910568
1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55911947

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 55988605) is N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is ZFYMDJDWRWRCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-21(16-4-6-17(7-5-16)23(26)27)18(24)14-22-11-8-15(9-12-22)19(25)20-10-3-13-28-2/h4-7,15H,3,8-14H2,1-2H3,(H,20,25).
What are the key properties of N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55988605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).