1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide

C27H37N3O2 — CID 55828595

IUPAC1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)CC1
InChIInChI=1S/C27H37N3O2/c1-4-5-9-14-28-26(31)23-12-15-30(16-13-23)25(22-10-7-6-8-11-22)27(32)29-24-18-20(2)17-21(3)19-24/h6-8,10-11,17-19,23,25H,4-5,9,12-16H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyWTOQVNMUPBAWTJ-UHFFFAOYSA-N
MW435.61 g/mol
LogP5.00
Rot. Bonds9

About 1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide

1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55828595) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55828595
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Name1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)CC1
InChIInChI=1S/C27H37N3O2/c1-4-5-9-14-28-26(31)23-12-15-30(16-13-23)25(22-10-7-6-8-11-22)27(32)29-24-18-20(2)17-21(3)19-24/h6-8,10-11,17-19,23,25H,4-5,9,12-16H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyWTOQVNMUPBAWTJ-UHFFFAOYSA-N
XLogP5.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 41112937
N-(3,5-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 51167515
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55910553
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide
CID 56573027
1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 52538543
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
1-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41227219
1-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41227222
1-[2-(dimethylamino)-2-oxo-1-phenylethyl]-N-propylpiperidine-4-carboxamide
CID 134046466
(3S)-1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide
CID 9267870
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
CID 30736150
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 43062016

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide (CID 55828595) is 1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)CC1.
What is the InChIKey of 1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is WTOQVNMUPBAWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-4-5-9-14-28-26(31)23-12-15-30(16-13-23)25(22-10-7-6-8-11-22)27(32)29-24-18-20(2)17-21(3)19-24/h6-8,10-11,17-19,23,25H,4-5,9,12-16H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of 1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide?
1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 435.61 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55828595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).