2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone

C13H24N2O2 — CID 54885616

IUPAC2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone
SMILESCCOCC(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-10-13(16)15-8-4-5-11(9-15)12-6-3-7-14-12/h11-12,14H,2-10H2,1H3
InChIKeyYYMKSSRGXVFDHP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About 2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone

2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone (PubChem CID 54885616) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone
PubChem CID54885616
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone
SMILESCCOCC(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-10-13(16)15-8-4-5-11(9-15)12-6-3-7-14-12/h11-12,14H,2-10H2,1H3
InChIKeyYYMKSSRGXVFDHP-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

2-ethoxy-N-((1-isopropylpiperidin-4-yl)methyl)acetamide
CID 45558399
2-ethoxy-1-(4-tetrahydro-1H-pyrrol-3-ylpiperidino)-1-ethanone
CID 110197843
2-Methoxy-1-[2-(piperidin-4-yl)azepan-1-yl]ethan-1-one
CID 53588179
2-(Methoxyacetyl)-2,7-diazaspiro[4.5]decane
CID 56746586
N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide
CID 136585182
N-[(1R)-1-cyclohexylethyl]-2-methoxyacetamide
CID 81385907
1-[3-Ethyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205312
1-[3-Ethyl-4-(ethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205315
1-[3-Ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205317
1-(2-Piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206915
1-(2-Piperidin-4-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103804928
N-(1-piperidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103806064

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone (CID 54885616) is 2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone is CCOCC(=O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is YYMKSSRGXVFDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-10-13(16)15-8-4-5-11(9-15)12-6-3-7-14-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone 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 2-ethoxy-1-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 54885616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).