N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide

C24H26F6N2O — CID 25205934

IUPACN-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide
SMILESCCC1CCC(C)(C(NC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)c2ccccc2)NC1
InChIInChI=1S/C24H26F6N2O/c1-3-15-11-12-22(2,31-14-15)20(16-7-5-4-6-8-16)32-21(33)18-13-17(23(25,26)27)9-10-19(18)24(28,29)30/h4-10,13,15,20,31H,3,11-12,14H2,1-2H3,(H,32,33)
InChIKeyFMKIOATUOVLVAX-UHFFFAOYSA-N
MW472.47 g/mol
LogP6.36
Rot. Bonds5

About N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide

N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide (PubChem CID 25205934) has the molecular formula C24H26F6N2O and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide
PubChem CID25205934
Molecular FormulaC24H26F6N2O
Molecular Weight472.47 g/mol
Exact Mass472.19
IUPAC NameN-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide
SMILESCCC1CCC(C)(C(NC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)c2ccccc2)NC1
InChIInChI=1S/C24H26F6N2O/c1-3-15-11-12-22(2,31-14-15)20(16-7-5-4-6-8-16)32-21(33)18-13-17(23(25,26)27)9-10-19(18)24(28,29)30/h4-10,13,15,20,31H,3,11-12,14H2,1-2H3,(H,32,33)
InChIKeyFMKIOATUOVLVAX-UHFFFAOYSA-N
XLogP6.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide (CID 25205934) is N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide is CCC1CCC(C)(C(NC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)c2ccccc2)NC1.
What is the InChIKey of N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide?
The InChIKey is FMKIOATUOVLVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6N2O/c1-3-15-11-12-22(2,31-14-15)20(16-7-5-4-6-8-16)32-21(33)18-13-17(23(25,26)27)9-10-19(18)24(28,29)30/h4-10,13,15,20,31H,3,11-12,14H2,1-2H3,(H,32,33).
What are the key properties of N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide?
N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide has a molecular weight of 472.47 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-methylpiperidin-2-yl)-phenylmethyl]-2,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 25205934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).