N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide

C26H27N3O2 — CID 108507023

IUPACN-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H27N3O2/c30-25(28-24-13-11-23(12-14-24)27-22-9-5-2-6-10-22)26(31)29-17-15-21(16-18-29)19-20-7-3-1-4-8-20/h1-14,21,27H,15-19H2,(H,28,30)
InChIKeyWGXVONIAKYLAIP-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.85
Rot. Bonds5

About N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide

N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108507023) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108507023
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H27N3O2/c30-25(28-24-13-11-23(12-14-24)27-22-9-5-2-6-10-22)26(31)29-17-15-21(16-18-29)19-20-7-3-1-4-8-20/h1-14,21,27H,15-19H2,(H,28,30)
InChIKeyWGXVONIAKYLAIP-UHFFFAOYSA-N
XLogP4.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 69100099
2-(4-benzylpiperidin-1-yl)-N-(4-tert-butylphenyl)-2-oxoacetamide
CID 108507060
tert-butyl N-[4-[[2-(4-benzylpiperidin-1-yl)-2-oxoacetyl]amino]phenyl]carbamate
CID 69100254
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
2-(4-benzylpiperidin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108506967
2-(4-benzylpiperidin-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 44902552
N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517085
2-(4-benzylpiperidin-1-yl)-N-(2,5-dichlorophenyl)-2-oxoacetamide
CID 108500909
2-(4-benzylpiperidin-1-yl)-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 69100489
tert-butyl N-[2-[3-[[2-(4-benzylpiperidin-1-yl)-2-oxoacetyl]amino]anilino]-2-oxoethyl]carbamate
CID 69099965
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide
CID 111798598

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide (CID 108507023) is N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide is O=C(Nc1ccc(Nc2ccccc2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is WGXVONIAKYLAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-25(28-24-13-11-23(12-14-24)27-22-9-5-2-6-10-22)26(31)29-17-15-21(16-18-29)19-20-7-3-1-4-8-20/h1-14,21,27H,15-19H2,(H,28,30).
What are the key properties of N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide?
N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 413.52 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108507023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).