[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone

C16H19N3O2 — CID 43461716

IUPAC[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C16H19N3O2/c1-12-5-10-21-15(12)16(20)19-8-6-18(7-9-19)14-4-2-3-13(17)11-14/h2-5,10-11H,6-9,17H2,1H3
InChIKeyFKZVAAKOFFSWSV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.13
Rot. Bonds2

About [4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone

[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 43461716) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID43461716
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C16H19N3O2/c1-12-5-10-21-15(12)16(20)19-8-6-18(7-9-19)14-4-2-3-13(17)11-14/h2-5,10-11H,6-9,17H2,1H3
InChIKeyFKZVAAKOFFSWSV-UHFFFAOYSA-N
XLogP2.13
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51240546
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 43461708
[4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 43461710
[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 41430741
(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 120639741
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153554
4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide
CID 43461736
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (CID 43461716) is [4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of [4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is FKZVAAKOFFSWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-5-10-21-15(12)16(20)19-8-6-18(7-9-19)14-4-2-3-13(17)11-14/h2-5,10-11H,6-9,17H2,1H3.
What are the key properties of [4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 43461716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).