N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide

C23H27F3N2O — CID 45210227

IUPACN-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
SMILESCN(CC1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccccc1
InChIInChI=1S/C23H27F3N2O/c1-27(22(29)20-9-3-2-4-10-20)16-19-8-6-13-28(17-19)14-12-18-7-5-11-21(15-18)23(24,25)26/h2-5,7,9-11,15,19H,6,8,12-14,16-17H2,1H3
InChIKeyDPVQROISIRWLKZ-UHFFFAOYSA-N
MW404.48 g/mol
LogP4.73
Rot. Bonds6

About N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide

N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide (PubChem CID 45210227) has the molecular formula C23H27F3N2O and a molecular weight of 404.48 g/mol. Its IUPAC name is N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
PubChem CID45210227
Molecular FormulaC23H27F3N2O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC NameN-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
SMILESCN(CC1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccccc1
InChIInChI=1S/C23H27F3N2O/c1-27(22(29)20-9-3-2-4-10-20)16-19-8-6-13-28(17-19)14-12-18-7-5-11-21(15-18)23(24,25)26/h2-5,7,9-11,15,19H,6,8,12-14,16-17H2,1H3
InChIKeyDPVQROISIRWLKZ-UHFFFAOYSA-N
XLogP4.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 26335690
2-hydroxy-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 72913282
N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 42401637
2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 56718790
2-[methyl-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]amino]acetic acid
CID 97268510
2-chloro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 45194918
3-hydroxy-N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]propanamide
CID 97281757
2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 42593796
N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide
CID 97278455
2-(4-methoxyphenyl)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 45187969
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 29022538

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide (CID 45210227) is N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide is CN(CC1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is DPVQROISIRWLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O/c1-27(22(29)20-9-3-2-4-10-20)16-19-8-6-13-28(17-19)14-12-18-7-5-11-21(15-18)23(24,25)26/h2-5,7,9-11,15,19H,6,8,12-14,16-17H2,1H3.
What are the key properties of N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide?
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 404.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 45210227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).