N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C23H26F3N3O2 — CID 55652632

IUPACN-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1N(C)C
InChIInChI=1S/C23H26F3N3O2/c1-15-14-19(8-9-20(15)28(2)3)27-21(30)16-10-12-29(13-11-16)22(31)17-4-6-18(7-5-17)23(24,25)26/h4-9,14,16H,10-13H2,1-3H3,(H,27,30)
InChIKeyNUDQXTTZTOZBNT-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.57
Rot. Bonds4

About N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 55652632) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID55652632
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC NameN-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1N(C)C
InChIInChI=1S/C23H26F3N3O2/c1-15-14-19(8-9-20(15)28(2)3)27-21(30)16-10-12-29(13-11-16)22(31)17-4-6-18(7-5-17)23(24,25)26/h4-9,14,16H,10-13H2,1-3H3,(H,27,30)
InChIKeyNUDQXTTZTOZBNT-UHFFFAOYSA-N
XLogP4.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 42153498
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
dimethyl 5-[[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26015500
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
N-[4-(dimethylamino)-3-methylphenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55652132
N-(6-chloro-3-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 58016180
N-[3-(diethylcarbamoyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26079950
N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 52688722
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
1-(4-tert-butylbenzoyl)-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006485

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 55652632) is N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is NUDQXTTZTOZBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-15-14-19(8-9-20(15)28(2)3)27-21(30)16-10-12-29(13-11-16)22(31)17-4-6-18(7-5-17)23(24,25)26/h4-9,14,16H,10-13H2,1-3H3,(H,27,30).
What are the key properties of N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55652632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).