N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide

C23H25FN4O5 — CID 55848032

IUPACN-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H25FN4O5/c24-20-7-2-1-4-16(20)8-11-25-22(30)17-9-12-27(13-10-17)21(29)15-26-23(31)18-5-3-6-19(14-18)28(32)33/h1-7,14,17H,8-13,15H2,(H,25,30)(H,26,31)
InChIKeyJUGHMJVPUFSVGA-UHFFFAOYSA-N
MW456.47 g/mol
LogP2.06
Rot. Bonds8

About N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide (PubChem CID 55848032) has the molecular formula C23H25FN4O5 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide
PubChem CID55848032
Molecular FormulaC23H25FN4O5
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H25FN4O5/c24-20-7-2-1-4-16(20)8-11-25-22(30)17-9-12-27(13-10-17)21(29)15-26-23(31)18-5-3-6-19(14-18)28(32)33/h1-7,14,17H,8-13,15H2,(H,25,30)(H,26,31)
InChIKeyJUGHMJVPUFSVGA-UHFFFAOYSA-N
XLogP2.06
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
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-[2-(2-fluorophenyl)ethyl]-1-(3-nitrobenzoyl)piperidine-4-carboxamide
CID 55779155
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]-1-[3-(2-nitrophenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 55779276
N-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-nitrobenzamide
CID 46654836
1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55963689
N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 55779186
N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984
1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778891
1-(4-anilino-3-nitrobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55848788
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide
CID 8743437
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide (CID 55848032) is N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide is O=C(NCC(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide?
The InChIKey is JUGHMJVPUFSVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5/c24-20-7-2-1-4-16(20)8-11-25-22(30)17-9-12-27(13-10-17)21(29)15-26-23(31)18-5-3-6-19(14-18)28(32)33/h1-7,14,17H,8-13,15H2,(H,25,30)(H,26,31).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-[2-[(3-nitrobenzoyl)amino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55848032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).