4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one

C12H16F3N3O — CID 70783442

IUPAC4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)4-3-10(19)18-7-1-2-9(8-18)11-16-5-6-17-11/h5-6,9H,1-4,7-8H2,(H,16,17)
InChIKeyYLNQPAGANIWFGH-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.46
Rot. Bonds3

About 4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 70783442) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID70783442
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)4-3-10(19)18-7-1-2-9(8-18)11-16-5-6-17-11/h5-6,9H,1-4,7-8H2,(H,16,17)
InChIKeyYLNQPAGANIWFGH-UHFFFAOYSA-N
XLogP2.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl {2-[3-(1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}carbamate
CID 70708569
3-(1H-imidazol-2-yl)-1-[3-(methylthio)propanoyl]piperidine
CID 70723520
1-(3-ethoxypropanoyl)-3-(1H-imidazol-2-yl)piperidine
CID 70728567
4-(1H-imidazol-2-yl)-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperidine
CID 70748224
N,N-dimethyl-2-{2-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-imidazol-1-yl}ethanamine
CID 72853722
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 75424556
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 84585406
4-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-1-methyl-2-imidazolidinone
CID 70773690
Piperidinocarbonylimidazole
CID 54177693
1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 47089011
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-methylpiperidine-1-carboxamide
CID 53595552
2,2-difluoro-N-({1-[(1-propyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}methyl)acetamide
CID 56753573

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one (CID 70783442) is 4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is YLNQPAGANIWFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)4-3-10(19)18-7-1-2-9(8-18)11-16-5-6-17-11/h5-6,9H,1-4,7-8H2,(H,16,17).
What are the key properties of 4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 275.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 70783442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).