[4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone

C14H23N3O2 — CID 65151721

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)N2CCN(CCN)CC2)c1C
InChIInChI=1S/C14H23N3O2/c1-10-11(2)19-12(3)13(10)14(18)17-8-6-16(5-4-15)7-9-17/h4-9,15H2,1-3H3
InChIKeyPMWPSOSKPLOXTK-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.92
Rot. Bonds3

About [4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone

[4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 65151721) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID65151721
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)N2CCN(CCN)CC2)c1C
InChIInChI=1S/C14H23N3O2/c1-10-11(2)19-12(3)13(10)14(18)17-8-6-16(5-4-15)7-9-17/h4-9,15H2,1-3H3
InChIKeyPMWPSOSKPLOXTK-UHFFFAOYSA-N
XLogP0.92
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 65152062
(4-methyl-1,4-diazepan-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 78819111
[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251608
[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 43251610
(4-bromopiperidin-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80661462
[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 35614259
2-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]butanenitrile
CID 65153428
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 17464213
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 79403129
[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 43251237
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251796

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone (CID 65151721) is [4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)N2CCN(CCN)CC2)c1C.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is PMWPSOSKPLOXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-11(2)19-12(3)13(10)14(18)17-8-6-16(5-4-15)7-9-17/h4-9,15H2,1-3H3.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
[4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 65151721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).