2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone

C12H21N3O3 — CID 113263934

IUPAC2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C(=O)[C@H]2CCCN2)CC1
InChIInChI=1S/C12H21N3O3/c1-18-9-11(16)14-5-7-15(8-6-14)12(17)10-3-2-4-13-10/h10,13H,2-9H2,1H3/t10-/m1/s1
InChIKeyNXYJCJSXQPTQGQ-SNVBAGLBSA-N
MW255.32 g/mol
LogP-0.94
Rot. Bonds3

About 2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 113263934) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID113263934
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C(=O)[C@H]2CCCN2)CC1
InChIInChI=1S/C12H21N3O3/c1-18-9-11(16)14-5-7-15(8-6-14)12(17)10-3-2-4-13-10/h10,13H,2-9H2,1H3/t10-/m1/s1
InChIKeyNXYJCJSXQPTQGQ-SNVBAGLBSA-N
XLogP-0.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 63978813
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119319211
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 81128709
3-hydroxy-3-methyl-1-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 166085462
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone (CID 113263934) is 2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(C(=O)[C@H]2CCCN2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is NXYJCJSXQPTQGQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-18-9-11(16)14-5-7-15(8-6-14)12(17)10-3-2-4-13-10/h10,13H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of 2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 255.32 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 113263934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).