3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one

C12H23N3O2 — CID 120981790

IUPAC3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCO[C@@H]1CCN(CCC(=O)N2CCNCC2)C1
InChIInChI=1S/C12H23N3O2/c1-17-11-2-6-14(10-11)7-3-12(16)15-8-4-13-5-9-15/h11,13H,2-10H2,1H3/t11-/m1/s1
InChIKeyJEXCBVAUMBEHCX-LLVKDONJSA-N
MW241.33 g/mol
LogP-0.47
Rot. Bonds4

About 3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one

3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120981790) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120981790
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCO[C@@H]1CCN(CCC(=O)N2CCNCC2)C1
InChIInChI=1S/C12H23N3O2/c1-17-11-2-6-14(10-11)7-3-12(16)15-8-4-13-5-9-15/h11,13H,2-10H2,1H3/t11-/m1/s1
InChIKeyJEXCBVAUMBEHCX-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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Related Compounds

3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981635
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982915
3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981559
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82511431
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one
CID 120981963
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204
4-[3-(3-methoxypyrrolidin-1-yl)propyl]piperidine
CID 103534757
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982909

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120981790) is 3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one is CO[C@@H]1CCN(CCC(=O)N2CCNCC2)C1.
What is the InChIKey of 3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is JEXCBVAUMBEHCX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-17-11-2-6-14(10-11)7-3-12(16)15-8-4-13-5-9-15/h11,13H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of 3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one 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 3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120981790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).