2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C23H27F3N4O3 — CID 155349566

IUPAC2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILES[H]/N=C/N(c1cc(O)c(C(=O)NCC(F)(F)F)c(OC)c1)c1ccc(C2CCNCC2)cc1C
InChIInChI=1S/C23H27F3N4O3/c1-14-9-16(15-5-7-28-8-6-15)3-4-18(14)30(13-27)17-10-19(31)21(20(11-17)33-2)22(32)29-12-23(24,25)26/h3-4,9-11,13,15,27-28,31H,5-8,12H2,1-2H3,(H,29,32)/b27-13+
InChIKeyMPZIEQWDRHEFOH-UVHMKAGCSA-N
MW464.49 g/mol
LogP4.21
Rot. Bonds7

About 2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide

2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 155349566) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID155349566
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC Name2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILES[H]/N=C/N(c1cc(O)c(C(=O)NCC(F)(F)F)c(OC)c1)c1ccc(C2CCNCC2)cc1C
InChIInChI=1S/C23H27F3N4O3/c1-14-9-16(15-5-7-28-8-6-15)3-4-18(14)30(13-27)17-10-19(31)21(20(11-17)33-2)22(32)29-12-23(24,25)26/h3-4,9-11,13,15,27-28,31H,5-8,12H2,1-2H3,(H,29,32)/b27-13+
InChIKeyMPZIEQWDRHEFOH-UVHMKAGCSA-N
XLogP4.21
TPSA97.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393402
N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393398
2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide
CID 171365222
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 165436239
N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393396
N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide
CID 169452618
N,N,2-trimethyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452615
2,7-dimethoxy-4-(5-piperidin-4-ylbenzimidazol-1-yl)-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-triene-1-carboxamide
CID 174364174
4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001167
4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
CID 117343039
4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 174363574
4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 163582712

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 155349566) is 2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide is [H]/N=C/N(c1cc(O)c(C(=O)NCC(F)(F)F)c(OC)c1)c1ccc(C2CCNCC2)cc1C.
What is the InChIKey of 2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MPZIEQWDRHEFOH-UVHMKAGCSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-14-9-16(15-5-7-28-8-6-15)3-4-18(14)30(13-27)17-10-19(31)21(20(11-17)33-2)22(32)29-12-23(24,25)26/h3-4,9-11,13,15,27-28,31H,5-8,12H2,1-2H3,(H,29,32)/b27-13+.
What are the key properties of 2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 464.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(N-methanimidoyl-2-methyl-4-piperidin-4-ylanilino)-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 155349566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).