N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide

C26H33N3O5 — CID 127035618

IUPACN-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)C(C)c3ccc(CC(C)C)cc3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C26H33N3O5/c1-17(2)15-19-5-7-20(8-6-19)18(3)26(31)28-13-11-21(12-14-28)25(30)27-23-10-9-22(34-4)16-24(23)29(32)33/h5-10,16-18,21H,11-15H2,1-4H3,(H,27,30)
InChIKeyKKEWVQGGOXZNCE-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.78
Rot. Bonds8

About N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide

N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide (PubChem CID 127035618) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
PubChem CID127035618
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC NameN-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)C(C)c3ccc(CC(C)C)cc3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C26H33N3O5/c1-17(2)15-19-5-7-20(8-6-19)18(3)26(31)28-13-11-21(12-14-28)25(30)27-23-10-9-22(34-4)16-24(23)29(32)33/h5-10,16-18,21H,11-15H2,1-4H3,(H,27,30)
InChIKeyKKEWVQGGOXZNCE-UHFFFAOYSA-N
XLogP4.78
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.78
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

N-(4-methoxy-2-nitrophenyl)benzamide
CID 274249
4-{[3-(3,5-dimethylpiperidin-1-yl)propyl]amino}-N-(3-methoxyphenyl)-3-nitrobenzamide
CID 16194189
N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 2942448
N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 2942630
N-(3-methoxyphenyl)-3-nitro-4-(piperidin-1-yl)benzamide
CID 2943002
N-(3-methoxyphenyl)-4-(morpholin-4-yl)-3-nitrobenzamide
CID 2943709
N-(3-methoxyphenyl)-4-{[3-(4-methylpiperidin-1-yl)propyl]amino}-3-nitrobenzamide
CID 16193792
N-(4-methoxy-2-nitrophenyl)-4-(propanoylamino)benzamide
CID 2936857
N-(4-methoxy-2-nitrophenyl)-3-[(2-methyl-1-oxopropyl)amino]benzamide
CID 2939992
4-(isobutyrylamino)-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2951981
N-(4-methoxy-2-nitrophenyl)-4-(pentanoylamino)benzamide
CID 2957400
(4-Fluorophenyl)-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
CID 2960844

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide (CID 127035618) is N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)C(C)c3ccc(CC(C)C)cc3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The InChIKey is KKEWVQGGOXZNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-17(2)15-19-5-7-20(8-6-19)18(3)26(31)28-13-11-21(12-14-28)25(30)27-23-10-9-22(34-4)16-24(23)29(32)33/h5-10,16-18,21H,11-15H2,1-4H3,(H,27,30).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 127035618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).