[3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C13H21F3N2O2 — CID 106586804

IUPAC[3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCOCC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H21F3N2O2/c1-20-8-10-3-2-6-18(7-10)11(19)12(13(14,15)16)4-5-17-9-12/h10,17H,2-9H2,1H3
InChIKeyBEGIOSRNJZFMFS-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.41
Rot. Bonds3

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

[3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 106586804) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID106586804
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCOCC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H21F3N2O2/c1-20-8-10-3-2-6-18(7-10)11(19)12(13(14,15)16)4-5-17-9-12/h10,17H,2-9H2,1H3
InChIKeyBEGIOSRNJZFMFS-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 55165143
[3-(Hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 55227456
N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227457
(3-Ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63140126
(4-Methoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708417
(3-Methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708742
Methyl 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 63708751
(3,5-Dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709115
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 63709308
N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710058
(4-Ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63710586
N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710784

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 106586804) is [3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is COCC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is BEGIOSRNJZFMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-20-8-10-3-2-6-18(7-10)11(19)12(13(14,15)16)4-5-17-9-12/h10,17H,2-9H2,1H3.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
[3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 294.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 106586804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).