N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C26H33N3O7 — CID 55632889

IUPACN-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCCCOc1cc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C26H33N3O7/c1-3-14-34-23-16-21(22(29(32)33)17-24(23)35-15-4-2)27-26(31)19-10-12-28(13-11-19)25(30)18-36-20-8-6-5-7-9-20/h5-9,16-17,19H,3-4,10-15,18H2,1-2H3,(H,27,31)
InChIKeyDWYQDUOUEUIPEL-UHFFFAOYSA-N
MW499.56 g/mol
LogP4.43
Rot. Bonds12

About N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55632889) has the molecular formula C26H33N3O7 and a molecular weight of 499.56 g/mol. Its IUPAC name is N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55632889
Molecular FormulaC26H33N3O7
Molecular Weight499.56 g/mol
Exact Mass499.23
IUPAC NameN-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCCCOc1cc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C26H33N3O7/c1-3-14-34-23-16-21(22(29(32)33)17-24(23)35-15-4-2)27-26(31)19-10-12-28(13-11-19)25(30)18-36-20-8-6-5-7-9-20/h5-9,16-17,19H,3-4,10-15,18H2,1-2H3,(H,27,31)
InChIKeyDWYQDUOUEUIPEL-UHFFFAOYSA-N
XLogP4.43
TPSA120.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1-(2-phenoxyacetyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55630582
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673965
N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631254
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633654
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
CID 110493070
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
CID 55460788
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55632889) is N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is CCCOc1cc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)c([N+](=O)[O-])cc1OCCC.
What is the InChIKey of N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is DWYQDUOUEUIPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O7/c1-3-14-34-23-16-21(22(29(32)33)17-24(23)35-15-4-2)27-26(31)19-10-12-28(13-11-19)25(30)18-36-20-8-6-5-7-9-20/h5-9,16-17,19H,3-4,10-15,18H2,1-2H3,(H,27,31).
What are the key properties of N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 499.56 g/mol, XLogP of 4.43, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55632889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).