N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide

C21H24N4O7 — CID 55808350

IUPACN-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)c([N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C21H24N4O7/c1-30-15-12-14(17(25(28)29)19(32-3)18(15)31-2)21(27)24-10-7-13(8-11-24)20(26)23-16-6-4-5-9-22-16/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,22,23,26)
InChIKeyYVEWTGCTWFHSJZ-UHFFFAOYSA-N
MW444.44 g/mol
LogP2.51
Rot. Bonds7

About N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide

N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide (PubChem CID 55808350) has the molecular formula C21H24N4O7 and a molecular weight of 444.44 g/mol. Its IUPAC name is N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide
PubChem CID55808350
Molecular FormulaC21H24N4O7
Molecular Weight444.44 g/mol
Exact Mass444.16
IUPAC NameN-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)c([N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C21H24N4O7/c1-30-15-12-14(17(25(28)29)19(32-3)18(15)31-2)21(27)24-10-7-13(8-11-24)20(26)23-16-6-4-5-9-22-16/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,22,23,26)
InChIKeyYVEWTGCTWFHSJZ-UHFFFAOYSA-N
XLogP2.51
TPSA133.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-methylpiperidin-1-yl)-(3,4,5-trimethoxy-2-nitrophenyl)methanone
CID 27669894
1-[2-(2-fluorophenyl)sulfanyl-5-nitrobenzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808631
1-(4-cyclopentyloxy-3-methoxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808317
1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930865
1-(2-oxo-1H-quinoline-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 71893089
1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 47049140
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51123650
furan-2-yl-[4-(3,4,5-trimethoxy-2-nitrobenzoyl)piperazin-1-yl]methanone
CID 34470441
3,4,5-trimethoxy-N-[2-(morpholine-4-carbonyl)phenyl]-2-nitrobenzamide
CID 55546101
1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55933258
N-(5-chloro-2-pyridinyl)-1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 55813064

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide (CID 55808350) is N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide is COc1cc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)c([N+](=O)[O-])c(OC)c1OC.
What is the InChIKey of N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide?
The InChIKey is YVEWTGCTWFHSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O7/c1-30-15-12-14(17(25(28)29)19(32-3)18(15)31-2)21(27)24-10-7-13(8-11-24)20(26)23-16-6-4-5-9-22-16/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,22,23,26).
What are the key properties of N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide?
N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide has a molecular weight of 444.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55808350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).