N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide

C15H16F6N2O — CID 119442576

IUPACN-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C15H16F6N2O/c1-23(12-2-4-22-5-3-12)13(24)9-6-10(14(16,17)18)8-11(7-9)15(19,20)21/h6-8,12,22H,2-5H2,1H3
InChIKeyMWSKSBWXMSZYCB-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.55
Rot. Bonds2

About N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide

N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 119442576) has the molecular formula C15H16F6N2O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
PubChem CID119442576
Molecular FormulaC15H16F6N2O
Molecular Weight354.29 g/mol
Exact Mass354.12
IUPAC NameN-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C15H16F6N2O/c1-23(12-2-4-22-5-3-12)13(24)9-6-10(14(16,17)18)8-11(7-9)15(19,20)21/h6-8,12,22H,2-5H2,1H3
InChIKeyMWSKSBWXMSZYCB-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
N-[3-(4-fluorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87629375
N-methyl-N-[(3R,4R)-3-(4-methylphenyl)piperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 86631370
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 99850405
N-[(3R,4S)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 86631302
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 79114417
4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444129
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 65100676

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide (CID 119442576) is N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide is CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is MWSKSBWXMSZYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N2O/c1-23(12-2-4-22-5-3-12)13(24)9-6-10(14(16,17)18)8-11(7-9)15(19,20)21/h6-8,12,22H,2-5H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide?
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 354.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 119442576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).