(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone

C12H23N3O — CID 63138776

IUPAC(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCN1CCN(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C12H23N3O/c1-3-14-6-8-15(9-7-14)11(16)12(2)4-5-13-10-12/h13H,3-10H2,1-2H3
InChIKeyLSEFJMAYTKOZTD-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone

(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 63138776) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID63138776
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCN1CCN(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C12H23N3O/c1-3-14-6-8-15(9-7-14)11(16)12(2)4-5-13-10-12/h13H,3-10H2,1-2H3
InChIKeyLSEFJMAYTKOZTD-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
2-[4-(3-methylpyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 63142520
(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63142306
(4-ethylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127823
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-[(3S)-3-methylpyrrolidin-3-yl]methanone
CID 124694222
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
1-[4-(3-methylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 63131526
(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119843049
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 63143419

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone (CID 63138776) is (4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone is CCN1CCN(C(=O)C2(C)CCNC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is LSEFJMAYTKOZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-14-6-8-15(9-7-14)11(16)12(2)4-5-13-10-12/h13H,3-10H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 225.34 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63138776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).