(3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone

C13H25N3O — CID 63714365

IUPAC(3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCCC1CN(C(=O)C2CNCC2C)CCN1C
InChIInChI=1S/C13H25N3O/c1-4-11-9-16(6-5-15(11)3)13(17)12-8-14-7-10(12)2/h10-12,14H,4-9H2,1-3H3
InChIKeyDDTBIOTXCGTKII-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.39
Rot. Bonds2

About (3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone

(3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 63714365) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
PubChem CID63714365
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCCC1CN(C(=O)C2CNCC2C)CCN1C
InChIInChI=1S/C13H25N3O/c1-4-11-9-16(6-5-15(11)3)13(17)12-8-14-7-10(12)2/h10-12,14H,4-9H2,1-3H3
InChIKeyDDTBIOTXCGTKII-UHFFFAOYSA-N
XLogP0.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978778
(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 102706745
(3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone
CID 63621732
(2-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55215394
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 103950474
(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 164657914
(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 63715588
(4-methylpyrrolidin-3-yl)-morpholin-4-ylmethanone
CID 63720609
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 107220773
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 79170250
[(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 107222989
(3-hydroxypiperidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63715081

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone (CID 63714365) is (3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone is CCC1CN(C(=O)C2CNCC2C)CCN1C.
What is the InChIKey of (3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is DDTBIOTXCGTKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-11-9-16(6-5-15(11)3)13(17)12-8-14-7-10(12)2/h10-12,14H,4-9H2,1-3H3.
What are the key properties of (3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
(3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63714365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).