[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone

C14H20F6N2O — CID 95629460

IUPAC[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone
SMILESCCN1CCCC[C@@H]1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C14H20F6N2O/c1-2-21-7-4-3-5-10(21)11(23)22-8-6-12(9-22,13(15,16)17)14(18,19)20/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyGJSJNGHSADCEDZ-SNVBAGLBSA-N
MW346.32 g/mol
LogP3.20
Rot. Bonds2

About [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone

[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone (PubChem CID 95629460) has the molecular formula C14H20F6N2O and a molecular weight of 346.32 g/mol. Its IUPAC name is [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone.

Molecular Properties

Compound Name[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone
PubChem CID95629460
Molecular FormulaC14H20F6N2O
Molecular Weight346.32 g/mol
Exact Mass346.15
IUPAC Name[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone
SMILESCCN1CCCC[C@@H]1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C14H20F6N2O/c1-2-21-7-4-3-5-10(21)11(23)22-8-6-12(9-22,13(15,16)17)14(18,19)20/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyGJSJNGHSADCEDZ-SNVBAGLBSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(1S)-cyclohex-3-en-1-yl]methanone
CID 95770969
(2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide
CID 96569146
(4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone
CID 59105173
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119329695
1-[2-(6-azaspiro[3.4]octane-6-carbonyl)piperidin-1-yl]propan-1-one
CID 102555137
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
[1-[1-[(2R)-1-ethylpiperidine-2-carbonyl]piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 95550011
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-ethylpiperidin-2-yl)methanone
CID 75405318
(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 174164435
tert-butyl 2-[(2S)-1-ethylpiperidin-2-yl]-2-oxoacetate
CID 175746898
CID 66737893
CID 66737893

Frequently Asked Questions

What is the IUPAC name of [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone?
The IUPAC name of [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone (CID 95629460) is [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone.
What is the SMILES notation for [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone?
The canonical SMILES for [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone is CCN1CCCC[C@@H]1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1.
What is the InChIKey of [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone?
The InChIKey is GJSJNGHSADCEDZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20F6N2O/c1-2-21-7-4-3-5-10(21)11(23)22-8-6-12(9-22,13(15,16)17)14(18,19)20/h10H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone?
[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone has a molecular weight of 346.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone is sourced from PubChem (CID 95629460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).