N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C21H23F3N2O — CID 97202795

IUPACN-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C21H23F3N2O/c1-26(14-15-4-2-6-19(12-15)21(22,23)24)20(27)17-9-7-16(8-10-17)18-5-3-11-25-13-18/h2,4,6-10,12,18,25H,3,5,11,13-14H2,1H3/t18-/m1/s1
InChIKeyYGPDZQKUNCRUPL-GOSISDBHSA-N
MW376.42 g/mol
LogP4.44
Rot. Bonds4

About N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 97202795) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID97202795
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC NameN-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C21H23F3N2O/c1-26(14-15-4-2-6-19(12-15)21(22,23)24)20(27)17-9-7-16(8-10-17)18-5-3-11-25-13-18/h2,4,6-10,12,18,25H,3,5,11,13-14H2,1H3/t18-/m1/s1
InChIKeyYGPDZQKUNCRUPL-GOSISDBHSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97188682
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 119930674
N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 11210227
N-methyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 51123670
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 29182024
N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97203512
2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide
CID 26315578
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97198063
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 97202795) is N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([C@@H]2CCCNC2)cc1.
What is the InChIKey of N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is YGPDZQKUNCRUPL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23F3N2O/c1-26(14-15-4-2-6-19(12-15)21(22,23)24)20(27)17-9-7-16(8-10-17)18-5-3-11-25-13-18/h2,4,6-10,12,18,25H,3,5,11,13-14H2,1H3/t18-/m1/s1.
What are the key properties of N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 97202795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).