[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

C16H27N3O2 — CID 63340905

IUPAC[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCCCC(CN)N1CCN(C(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C16H27N3O2/c1-4-5-14(11-17)18-6-8-19(9-7-18)16(20)15-10-12(2)21-13(15)3/h10,14H,4-9,11,17H2,1-3H3
InChIKeyZYNULVHJWWHWIY-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.78
Rot. Bonds5

About [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 63340905) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID63340905
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCCCC(CN)N1CCN(C(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C16H27N3O2/c1-4-5-14(11-17)18-6-8-19(9-7-18)16(20)15-10-12(2)21-13(15)3/h10,14H,4-9,11,17H2,1-3H3
InChIKeyZYNULVHJWWHWIY-UHFFFAOYSA-N
XLogP1.78
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 43251237
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81439177
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-ethylsulfanylpropan-1-one
CID 87028590
(2S)-2-amino-1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119740241
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63340822
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 120624458
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 55219660
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 63337883
(3R)-N-[(2R)-butan-2-yl]-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 815151
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308395

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 63340905) is [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is CCCC(CN)N1CCN(C(=O)c2cc(C)oc2C)CC1.
What is the InChIKey of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is ZYNULVHJWWHWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-5-14(11-17)18-6-8-19(9-7-18)16(20)15-10-12(2)21-13(15)3/h10,14H,4-9,11,17H2,1-3H3.
What are the key properties of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 293.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 63340905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).