(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

C12H23N3O — CID 104901147

IUPAC(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCN1CCN(C(=O)[C@H]2CCCN2)CC1C
InChIInChI=1S/C12H23N3O/c1-3-14-7-8-15(9-10(14)2)12(16)11-5-4-6-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyWJORPIUXFCJXBL-RRKGBCIJSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds2

About (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 104901147) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID104901147
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCN1CCN(C(=O)[C@H]2CCCN2)CC1C
InChIInChI=1S/C12H23N3O/c1-3-14-7-8-15(9-10(14)2)12(16)11-5-4-6-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyWJORPIUXFCJXBL-RRKGBCIJSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 63620867
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913945
[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 124694570
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 77002717
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901253
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride
CID 119868355
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (CID 104901147) is (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is CCN1CCN(C(=O)[C@H]2CCCN2)CC1C.
What is the InChIKey of (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is WJORPIUXFCJXBL-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-14-7-8-15(9-10(14)2)12(16)11-5-4-6-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 225.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 104901147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).