[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone

C14H23N3O2 — CID 43251796

IUPAC[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(CCCCN)CC2)o1
InChIInChI=1S/C14H23N3O2/c1-12-4-5-13(19-12)14(18)17-10-8-16(9-11-17)7-3-2-6-15/h4-5H,2-3,6-11,15H2,1H3
InChIKeyJKKPPUMXTHKOSS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.08
Rot. Bonds5

About [4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone

[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 43251796) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID43251796
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(CCCCN)CC2)o1
InChIInChI=1S/C14H23N3O2/c1-12-4-5-13(19-12)14(18)17-10-8-16(9-11-17)7-3-2-6-15/h4-5H,2-3,6-11,15H2,1H3
InChIKeyJKKPPUMXTHKOSS-UHFFFAOYSA-N
XLogP1.08
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251608
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 63393820
(5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone
CID 86885930
[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 43251237
(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 46550663
(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 43251904
[4-(4-aminobutyl)piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 43251809
[4-(4-aminobutyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63209284
3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855936
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568
[4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone
CID 104668899

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone (CID 43251796) is [4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCN(CCCCN)CC2)o1.
What is the InChIKey of [4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is JKKPPUMXTHKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12-4-5-13(19-12)14(18)17-10-8-16(9-11-17)7-3-2-6-15/h4-5H,2-3,6-11,15H2,1H3.
What are the key properties of [4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 43251796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).