4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide

C9H15F3N2O — CID 97004912

IUPAC4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide
SMILESO=C(CCC(F)(F)F)N[C@H]1CCCNC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-7-2-1-5-13-6-7/h7,13H,1-6H2,(H,14,15)/t7-/m0/s1
InChIKeyQMLLYHKEFLYKQC-ZETCQYMHSA-N
MW224.23 g/mol
LogP1.20
Rot. Bonds3

About 4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide

4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide (PubChem CID 97004912) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide
PubChem CID97004912
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide
SMILESO=C(CCC(F)(F)F)N[C@H]1CCCNC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-7-2-1-5-13-6-7/h7,13H,1-6H2,(H,14,15)/t7-/m0/s1
InChIKeyQMLLYHKEFLYKQC-ZETCQYMHSA-N
XLogP1.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-1-(piperazin-1-yl)butan-1-one
CID 21801001
(1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide)
CID 3847323
3-(2,2,2-Trifluoroethyl)piperazin-2-one
CID 55253120
3-Amino-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 64238355
2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
CID 122702900
1-[(3R)-3-Aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 102978512
N-[(3S)-piperidin-3-yl]propanamide
CID 7175797
2,2,2-trifluoro-N-(piperidin-4-yl)acetamide
CID 10774253
N-(piperidin-3-yl)butanamide
CID 20121225
Acetamide, 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-
CID 6421687
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 62732802
1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one hydrochloride
CID 119031276

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide (CID 97004912) is 4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide is O=C(CCC(F)(F)F)N[C@H]1CCCNC1.
What is the InChIKey of 4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide?
The InChIKey is QMLLYHKEFLYKQC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-7-2-1-5-13-6-7/h7,13H,1-6H2,(H,14,15)/t7-/m0/s1.
What are the key properties of 4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide?
4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide has a molecular weight of 224.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide is sourced from PubChem (CID 97004912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).