1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide

C16H21N3O6 — CID 32978677

IUPAC1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C(N)=O)CC2)cc1OC
InChIInChI=1S/C16H21N3O6/c1-3-25-14-9-12(19(22)23)11(8-13(14)24-2)16(21)18-6-4-10(5-7-18)15(17)20/h8-10H,3-7H2,1-2H3,(H2,17,20)
InChIKeyJUJLWKFKJCFFSF-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.34
Rot. Bonds6

About 1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide

1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide (PubChem CID 32978677) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
PubChem CID32978677
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C(N)=O)CC2)cc1OC
InChIInChI=1S/C16H21N3O6/c1-3-25-14-9-12(19(22)23)11(8-13(14)24-2)16(21)18-6-4-10(5-7-18)15(17)20/h8-10H,3-7H2,1-2H3,(H2,17,20)
InChIKeyJUJLWKFKJCFFSF-UHFFFAOYSA-N
XLogP1.34
TPSA125.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
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

(4-ethoxy-5-methoxy-2-nitrophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543922
(5-ethoxy-4-methoxy-2-nitrophenyl)-(4-phenylpiperidin-1-yl)methanone
CID 24660158
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone
CID 119622744
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone
CID 9489998
(3S)-1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-3-carboxylic acid
CID 119113717
N-(5-chloro-2-pyridinyl)-1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 55813064
azepan-1-yl-[1-(4,5-dimethoxy-2-nitrobenzoyl)piperidin-4-yl]methanone
CID 31610743
[4-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39570910
(2,4-dimethoxyphenyl)-[4-(5-ethoxy-4-methoxy-2-nitrobenzoyl)piperazin-1-yl]methanone
CID 55904696
(2,3-dichlorophenyl)-[4-(5-ethoxy-4-methoxy-2-nitrobenzoyl)piperazin-1-yl]methanone
CID 55751741
3-cyclohexyl-1-[4-(5-ethoxy-4-methoxy-2-nitrobenzoyl)piperazin-1-yl]propan-1-one
CID 55915296
ethyl 4-[5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoyl]piperazine-1-carboxylate
CID 24658823

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide (CID 32978677) is 1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide is CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C(N)=O)CC2)cc1OC.
What is the InChIKey of 1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide?
The InChIKey is JUJLWKFKJCFFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6/c1-3-25-14-9-12(19(22)23)11(8-13(14)24-2)16(21)18-6-4-10(5-7-18)15(17)20/h8-10H,3-7H2,1-2H3,(H2,17,20).
What are the key properties of 1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide?
1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 32978677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).