2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C18H25F3N2O — CID 145278481

IUPAC2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCN1CCC(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N2O/c1-2-3-9-23-10-7-14(8-11-23)12-17(24)22-16-6-4-5-15(13-16)18(19,20)21/h4-6,13-14H,2-3,7-12H2,1H3,(H,22,24)
InChIKeyABXSTUPDSFUDKT-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.55
Rot. Bonds6

About 2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 145278481) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID145278481
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCN1CCC(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N2O/c1-2-3-9-23-10-7-14(8-11-23)12-17(24)22-16-6-4-5-15(13-16)18(19,20)21/h4-6,13-14H,2-3,7-12H2,1H3,(H,22,24)
InChIKeyABXSTUPDSFUDKT-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
(2S)-2-(1-butylpiperidin-4-yl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 126711688
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696237
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910
methyl 2-[1-butyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]piperidin-4-yl]acetate
CID 126711641
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 16886734
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912608
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 120774509

Frequently Asked Questions

What is the IUPAC name of 2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 145278481) is 2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is CCCCN1CCC(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ABXSTUPDSFUDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-2-3-9-23-10-7-14(8-11-23)12-17(24)22-16-6-4-5-15(13-16)18(19,20)21/h4-6,13-14H,2-3,7-12H2,1H3,(H,22,24).
What are the key properties of 2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 145278481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).