N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide

C19H27F3N2OS — CID 25455152

IUPACN-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide
SMILESCSCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H27F3N2OS/c1-23(18(25)14-26-2)13-16-7-10-24(11-8-16)9-6-15-4-3-5-17(12-15)19(20,21)22/h3-5,12,16H,6-11,13-14H2,1-2H3
InChIKeyYOJVXWCFRJQPQP-UHFFFAOYSA-N
MW388.50 g/mol
LogP3.78
Rot. Bonds7

About N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide

N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide (PubChem CID 25455152) has the molecular formula C19H27F3N2OS and a molecular weight of 388.50 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide
PubChem CID25455152
Molecular FormulaC19H27F3N2OS
Molecular Weight388.50 g/mol
Exact Mass388.18
IUPAC NameN-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide
SMILESCSCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H27F3N2OS/c1-23(18(25)14-26-2)13-16-7-10-24(11-8-16)9-6-15-4-3-5-17(12-15)19(20,21)22/h3-5,12,16H,6-11,13-14H2,1-2H3
InChIKeyYOJVXWCFRJQPQP-UHFFFAOYSA-N
XLogP3.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
CID 42342350
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
CID 42346526
2-hydroxy-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 72913282
(2S)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 97277487
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154899870
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 29152552
2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 56718790
3-hydroxy-N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]propanamide
CID 97281757
N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 42401637
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 45210227
N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine;dihydrochloride
CID 154899813

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide (CID 25455152) is N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide is CSCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is YOJVXWCFRJQPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2OS/c1-23(18(25)14-26-2)13-16-7-10-24(11-8-16)9-6-15-4-3-5-17(12-15)19(20,21)22/h3-5,12,16H,6-11,13-14H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide?
N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 388.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 25455152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).