(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C13H21F3N2O — CID 63140126

IUPAC(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCCC(C(F)(F)F)C2)CCNC1
InChIInChI=1S/C13H21F3N2O/c1-2-12(5-6-17-9-12)11(19)18-7-3-4-10(8-18)13(14,15)16/h10,17H,2-9H2,1H3
InChIKeyGRVAZFVDXUFTTC-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.18
Rot. Bonds2

About (3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 63140126) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is (3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID63140126
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCCC(C(F)(F)F)C2)CCNC1
InChIInChI=1S/C13H21F3N2O/c1-2-12(5-6-17-9-12)11(19)18-7-3-4-10(8-18)13(14,15)16/h10,17H,2-9H2,1H3
InChIKeyGRVAZFVDXUFTTC-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methyl-2,7-diazaspiro(4.5)decan-6-one
CID 51072222
2-Methyl-2,8-diazaspiro(4.5)decan-1-one hydrochloride
CID 21935015
2-Methyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074128
2-(2-Methylpropyl)-2,9-diazaspiro[4.5]decan-1-one
CID 118741541
2-Methyl-2,8-diazaspiro[4.5]decan-1-one
CID 327024
4-Methyl-1-(pyrrolidine-3-carbonyl)piperidine hydrochloride
CID 75419424
7-Methyl-2,7-diazaspiro[4.5]decan-6-one hydrochloride
CID 75481667
N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54595659
7-(4,4,4-Trifluorobutanoyl)-2,7-diazaspiro[4.5]decane
CID 56742661
2-(3,3,3-Trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922471
2-(2-Methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 118741540
2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide
CID 138011799

Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 63140126) is (3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is CCC1(C(=O)N2CCCC(C(F)(F)F)C2)CCNC1.
What is the InChIKey of (3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is GRVAZFVDXUFTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-2-12(5-6-17-9-12)11(19)18-7-3-4-10(8-18)13(14,15)16/h10,17H,2-9H2,1H3.
What are the key properties of (3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 278.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63140126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).