N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide

C15H19N3O5 — CID 49348710

IUPACN-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCC(NC(C)=O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O5/c1-10(19)16-12-5-7-17(8-6-12)15(20)11-3-4-14(23-2)13(9-11)18(21)22/h3-4,9,12H,5-8H2,1-2H3,(H,16,19)
InChIKeyDBHXJIZZKOMXAI-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.34
Rot. Bonds4

About N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide

N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide (PubChem CID 49348710) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide
PubChem CID49348710
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCC(NC(C)=O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O5/c1-10(19)16-12-5-7-17(8-6-12)15(20)11-3-4-14(23-2)13(9-11)18(21)22/h3-4,9,12H,5-8H2,1-2H3,(H,16,19)
InChIKeyDBHXJIZZKOMXAI-UHFFFAOYSA-N
XLogP1.34
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(4-methoxy-3-nitrophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413913
azepan-1-yl-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]methanone
CID 31611457
(3-aminopyrrolidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone;hydrochloride
CID 119482996
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 717990
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 62062492
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 119663992
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
[4-(4-methoxy-3-nitrobenzoyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 8933055
[3-(2-bromoethyl)pyrrolidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 114801411
4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119251933
N-(4-chlorocyclohexyl)-4-methoxy-3-nitrobenzamide
CID 114297314
(4-methoxy-3-nitrophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427141

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide (CID 49348710) is N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide is COc1ccc(C(=O)N2CCC(NC(C)=O)CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is DBHXJIZZKOMXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-10(19)16-12-5-7-17(8-6-12)15(20)11-3-4-14(23-2)13(9-11)18(21)22/h3-4,9,12H,5-8H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide?
N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 321.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 49348710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).