3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide

C18H25F3N2O — CID 97203525

IUPAC3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCN1CCC[C@H](CCC(=O)NCCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2O/c1-23-12-4-5-14(13-23)8-9-17(24)22-11-10-15-6-2-3-7-16(15)18(19,20)21/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyPOJIEXHELYRERJ-CQSZACIVSA-N
MW342.40 g/mol
LogP3.49
Rot. Bonds6

About 3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide

3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 97203525) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID97203525
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCN1CCC[C@H](CCC(=O)NCCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2O/c1-23-12-4-5-14(13-23)8-9-17(24)22-11-10-15-6-2-3-7-16(15)18(19,20)21/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyPOJIEXHELYRERJ-CQSZACIVSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide
CID 95720669
(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 95714573
2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110860768
3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 166185990
N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 95714450
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 97190017
3-cyclohexyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110483602
1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
2-hydroxy-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56866872
3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide (CID 97203525) is 3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide is CN1CCC[C@H](CCC(=O)NCCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is POJIEXHELYRERJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-23-12-4-5-14(13-23)8-9-17(24)22-11-10-15-6-2-3-7-16(15)18(19,20)21/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 342.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 97203525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).