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

C14H23N3O2 — CID 43251237

IUPAC[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(CCCN)CC2)c(C)o1
InChIInChI=1S/C14H23N3O2/c1-11-10-13(12(2)19-11)14(18)17-8-6-16(7-9-17)5-3-4-15/h10H,3-9,15H2,1-2H3
InChIKeyNDTMXPNJZQVLQB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.00
Rot. Bonds4

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

[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 43251237) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID43251237
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(CCCN)CC2)c(C)o1
InChIInChI=1S/C14H23N3O2/c1-11-10-13(12(2)19-11)14(18)17-8-6-16(7-9-17)5-3-4-15/h10H,3-9,15H2,1-2H3
InChIKeyNDTMXPNJZQVLQB-UHFFFAOYSA-N
XLogP1.00
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308395
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
(2,5-dimethylfuran-3-yl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788591
[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251796
(2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone
CID 55848991
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 63340905
methyl 4-[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzoate
CID 55827793
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 120624458
methyl 5-[[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78898993
(2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 71782745
2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 136513320

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 43251237) is [4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCN(CCCN)CC2)c(C)o1.
What is the InChIKey of [4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is NDTMXPNJZQVLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-10-13(12(2)19-11)14(18)17-8-6-16(7-9-17)5-3-4-15/h10H,3-9,15H2,1-2H3.
What are the key properties of [4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 43251237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).