3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

C17H24F3N3O — CID 120774509

IUPAC3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC1(C)CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CCC1N
InChIInChI=1S/C17H24F3N3O/c1-16(2)11-23(8-6-14(16)21)9-7-15(24)22-13-5-3-4-12(10-13)17(18,19)20/h3-5,10,14H,6-9,11,21H2,1-2H3,(H,22,24)
InChIKeyYQRYHFVPGKSQGF-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.09
Rot. Bonds4

About 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 120774509) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID120774509
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC1(C)CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CCC1N
InChIInChI=1S/C17H24F3N3O/c1-16(2)11-23(8-6-14(16)21)9-7-15(24)22-13-5-3-4-12(10-13)17(18,19)20/h3-5,10,14H,6-9,11,21H2,1-2H3,(H,22,24)
InChIKeyYQRYHFVPGKSQGF-UHFFFAOYSA-N
XLogP3.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
CID 120774507
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912608
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride
CID 120774162
3-(3-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912607
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide
CID 120776246
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
2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 145278481
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120772271
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 120774509) is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is CC1(C)CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CCC1N.
What is the InChIKey of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YQRYHFVPGKSQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-16(2)11-23(8-6-14(16)21)9-7-15(24)22-13-5-3-4-12(10-13)17(18,19)20/h3-5,10,14H,6-9,11,21H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 343.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 120774509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).