cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone

C16H23F3N2O2 — CID 97005184

IUPACcyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C1
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)13-4-2-8-21(10-13)15(23)12-3-1-7-20(9-12)14(22)11-5-6-11/h11-13H,1-10H2/t12-,13-/m1/s1
InChIKeyRZWAHLFELFDBIA-CHWSQXEVSA-N
MW332.37 g/mol
LogP2.44
Rot. Bonds2

About cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone

cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 97005184) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID97005184
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Namecyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C1
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)13-4-2-8-21(10-13)15(23)12-3-1-7-20(9-12)14(22)11-5-6-11/h11-13H,1-10H2/t12-,13-/m1/s1
InChIKeyRZWAHLFELFDBIA-CHWSQXEVSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 107224557
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94916279
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198528
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129365590
azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone
CID 129495393
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 1231349

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone (CID 97005184) is cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C1.
What is the InChIKey of cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is RZWAHLFELFDBIA-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c17-16(18,19)13-4-2-8-21(10-13)15(23)12-3-1-7-20(9-12)14(22)11-5-6-11/h11-13H,1-10H2/t12-,13-/m1/s1.
What are the key properties of cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 332.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97005184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).