(3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone

C13H20N2O2 — CID 114103325

IUPAC(3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone
SMILESCCc1occc1C(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C13H20N2O2/c1-4-12-11(5-6-17-12)13(16)15-7-9(2)14-10(3)8-15/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyHWIVEUNTEHALQP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.66
Rot. Bonds2

About (3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone

(3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone (PubChem CID 114103325) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone
PubChem CID114103325
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone
SMILESCCc1occc1C(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C13H20N2O2/c1-4-12-11(5-6-17-12)13(16)15-7-9(2)14-10(3)8-15/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyHWIVEUNTEHALQP-UHFFFAOYSA-N
XLogP1.66
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 114103087
2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 114102920
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
1-(2-ethylfuran-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964618
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid
CID 114217838
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872512
(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589891
2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid
CID 114217888
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone (CID 114103325) is (3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone is CCc1occc1C(=O)N1CC(C)NC(C)C1.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone?
The InChIKey is HWIVEUNTEHALQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-12-11(5-6-17-12)13(16)15-7-9(2)14-10(3)8-15/h5-6,9-10,14H,4,7-8H2,1-3H3.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone?
(3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone is sourced from PubChem (CID 114103325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).