2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide

C21H20F6N2O2 — CID 59438392

IUPAC2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCNC1
InChIInChI=1S/C21H20F6N2O2/c1-31-16-11-14(20(22,23)24)10-15(21(25,26)27)17(16)18(30)29-19(8-5-9-28-12-19)13-6-3-2-4-7-13/h2-4,6-7,10-11,28H,5,8-9,12H2,1H3,(H,29,30)
InChIKeyMTQSVWHXZKFABK-UHFFFAOYSA-N
MW446.39 g/mol
LogP4.74
Rot. Bonds4

About 2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide

2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide (PubChem CID 59438392) has the molecular formula C21H20F6N2O2 and a molecular weight of 446.39 g/mol. Its IUPAC name is 2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide
PubChem CID59438392
Molecular FormulaC21H20F6N2O2
Molecular Weight446.39 g/mol
Exact Mass446.14
IUPAC Name2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCNC1
InChIInChI=1S/C21H20F6N2O2/c1-31-16-11-14(20(22,23)24)10-15(21(25,26)27)17(16)18(30)29-19(8-5-9-28-12-19)13-6-3-2-4-7-13/h2-4,6-7,10-11,28H,5,8-9,12H2,1H3,(H,29,30)
InChIKeyMTQSVWHXZKFABK-UHFFFAOYSA-N
XLogP4.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide (CID 59438392) is 2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCNC1.
What is the InChIKey of 2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
The InChIKey is MTQSVWHXZKFABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2O2/c1-31-16-11-14(20(22,23)24)10-15(21(25,26)27)17(16)18(30)29-19(8-5-9-28-12-19)13-6-3-2-4-7-13/h2-4,6-7,10-11,28H,5,8-9,12H2,1H3,(H,29,30).
What are the key properties of 2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide has a molecular weight of 446.39 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 59438392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).