N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide

C20H21F3N2O2 — CID 121141464

IUPACN-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1
InChIInChI=1S/C20H21F3N2O2/c1-27-18-3-2-12-25(13-18)17-10-8-16(9-11-17)24-19(26)14-4-6-15(7-5-14)20(21,22)23/h4-11,18H,2-3,12-13H2,1H3,(H,24,26)
InChIKeySCLJGTKMYVNIME-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.57
Rot. Bonds4

About N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide

N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 121141464) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID121141464
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1
InChIInChI=1S/C20H21F3N2O2/c1-27-18-3-2-12-25(13-18)17-10-8-16(9-11-17)24-19(26)14-4-6-15(7-5-14)20(21,22)23/h4-11,18H,2-3,12-13H2,1H3,(H,24,26)
InChIKeySCLJGTKMYVNIME-UHFFFAOYSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
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

4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141499
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605
4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141504
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 97427587
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 121141464) is N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide is COC1CCCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is SCLJGTKMYVNIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-27-18-3-2-12-25(13-18)17-10-8-16(9-11-17)24-19(26)14-4-6-15(7-5-14)20(21,22)23/h4-11,18H,2-3,12-13H2,1H3,(H,24,26).
What are the key properties of N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 378.39 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-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 121141464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).