1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone

C12H23N3O2 — CID 141149208

IUPAC1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone
SMILESCCO[C@@H]1CCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C12H23N3O2/c1-2-17-11-3-6-15(9-11)12(16)10-14-7-4-13-5-8-14/h11,13H,2-10H2,1H3/t11-/m1/s1
InChIKeyCIXAGIVHLADTES-LLVKDONJSA-N
MW241.33 g/mol
LogP-0.47
Rot. Bonds4

About 1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone

1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone (PubChem CID 141149208) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone
PubChem CID141149208
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone
SMILESCCO[C@@H]1CCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C12H23N3O2/c1-2-17-11-3-6-15(9-11)12(16)10-14-7-4-13-5-8-14/h11,13H,2-10H2,1H3/t11-/m1/s1
InChIKeyCIXAGIVHLADTES-LLVKDONJSA-N
XLogP-0.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone?
The IUPAC name of 1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone (CID 141149208) is 1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone?
The canonical SMILES for 1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone is CCO[C@@H]1CCN(C(=O)CN2CCNCC2)C1.
What is the InChIKey of 1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone?
The InChIKey is CIXAGIVHLADTES-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-17-11-3-6-15(9-11)12(16)10-14-7-4-13-5-8-14/h11,13H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone?
1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone has a molecular weight of 241.33 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-ethoxypyrrolidin-1-yl]-2-piperazin-1-ylethanone is sourced from PubChem (CID 141149208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).