[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone

C13H24N2O2 — CID 119341172

IUPAC[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
SMILESCCOCC1CCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-10-11-6-8-15(9-11)13(16)12-5-3-4-7-14-12/h11-12,14H,2-10H2,1H3
InChIKeyKOKBJCVUBJSMIT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone

[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone (PubChem CID 119341172) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
PubChem CID119341172
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
SMILESCCOCC1CCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-10-11-6-8-15(9-11)13(16)12-5-3-4-7-14-12/h11-12,14H,2-10H2,1H3
InChIKeyKOKBJCVUBJSMIT-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119336588
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119336587
[4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 63978813
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119336604
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
CID 97100937
[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119319211
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129494191
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119341197
(3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 121202941
[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104912769

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone (CID 119341172) is [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone is CCOCC1CCN(C(=O)C2CCCCN2)C1.
What is the InChIKey of [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is KOKBJCVUBJSMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-10-11-6-8-15(9-11)13(16)12-5-3-4-7-14-12/h11-12,14H,2-10H2,1H3.
What are the key properties of [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone has a molecular weight of 240.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 119341172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).