(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide

C13H23F3N2O — CID 153197476

IUPAC(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
SMILESC[C@@H](CCC(N)=O)CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-10(4-5-12(17)19)6-8-18-7-2-3-11(9-18)13(14,15)16/h10-11H,2-9H2,1H3,(H2,17,19)/t10-,11?/m0/s1
InChIKeyWJGJFCUNDDPVAC-VUWPPUDQSA-N
MW280.33 g/mol
LogP2.55
Rot. Bonds6

About (4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide

(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide (PubChem CID 153197476) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is (4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide.

Molecular Properties

Compound Name(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
PubChem CID153197476
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
SMILESC[C@@H](CCC(N)=O)CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-10(4-5-12(17)19)6-8-18-7-2-3-11(9-18)13(14,15)16/h10-11H,2-9H2,1H3,(H2,17,19)/t10-,11?/m0/s1
InChIKeyWJGJFCUNDDPVAC-VUWPPUDQSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 118374749
N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite
CID 144600535
4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
CID 113440626
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 66337320
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
CID 155261854
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
CID 62573860
N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 100836620
N-(propan-2-ylcarbamoyl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098406
1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
CID 79843616

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide?
The IUPAC name of (4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide (CID 153197476) is (4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide.
What is the SMILES notation for (4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide?
The canonical SMILES for (4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide is C[C@@H](CCC(N)=O)CCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of (4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide?
The InChIKey is WJGJFCUNDDPVAC-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-10(4-5-12(17)19)6-8-18-7-2-3-11(9-18)13(14,15)16/h10-11H,2-9H2,1H3,(H2,17,19)/t10-,11?/m0/s1.
What are the key properties of (4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide?
(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide has a molecular weight of 280.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide is sourced from PubChem (CID 153197476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).