N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide

C23H26F3N3O2 — CID 3900992

IUPACN-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2N(C)C)CC1
InChIInChI=1S/C23H26F3N3O2/c1-15-9-11-29(12-10-15)22(31)19-14-18(7-8-20(19)28(2)3)27-21(30)16-5-4-6-17(13-16)23(24,25)26/h4-8,13-15H,9-12H2,1-3H3,(H,27,30)
InChIKeyKZVIMBGEDYTNNQ-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.90
Rot. Bonds4

About N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 3900992) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID3900992
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC NameN-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2N(C)C)CC1
InChIInChI=1S/C23H26F3N3O2/c1-15-9-11-29(12-10-15)22(31)19-14-18(7-8-20(19)28(2)3)27-21(30)16-5-4-6-17(13-16)23(24,25)26/h4-8,13-15H,9-12H2,1-3H3,(H,27,30)
InChIKeyKZVIMBGEDYTNNQ-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
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

3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54842854
3-chloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42747317
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520
(2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 1066481
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 3547504
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54830576
N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 1066480
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 4015085
2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 42747627
3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 5204790
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide (CID 3900992) is N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide is CC1CCN(C(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2N(C)C)CC1.
What is the InChIKey of N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KZVIMBGEDYTNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-15-9-11-29(12-10-15)22(31)19-14-18(7-8-20(19)28(2)3)27-21(30)16-5-4-6-17(13-16)23(24,25)26/h4-8,13-15H,9-12H2,1-3H3,(H,27,30).
What are the key properties of N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 433.47 g/mol, XLogP of 4.90, 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-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3900992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).