[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

C18H21N3O3 — CID 71967719

IUPAC[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1oc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1C
InChIInChI=1S/C18H21N3O3/c1-3-15-13(2)12-16(24-15)18(23)21-10-8-20(9-11-21)17(22)14-4-6-19-7-5-14/h4-7,12H,3,8-11H2,1-2H3
InChIKeyFLSLAXJQCGXICS-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.14
Rot. Bonds3

About [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 71967719) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID71967719
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1oc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1C
InChIInChI=1S/C18H21N3O3/c1-3-15-13(2)12-16(24-15)18(23)21-10-8-20(9-11-21)17(22)14-4-6-19-7-5-14/h4-7,12H,3,8-11H2,1-2H3
InChIKeyFLSLAXJQCGXICS-UHFFFAOYSA-N
XLogP2.14
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]furan-3-carboxylic acid
CID 120821164
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(5-ethyl-4-methylfuran-2-yl)methanone
CID 84588429
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride
CID 128971315
5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120820566
[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 131937745
3-(4-ethylphenyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798892
3-(5-methylfuran-2-yl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 75387318
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
[4-(4-chloro-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 86814208
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 71967719) is [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is CCc1oc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1C.
What is the InChIKey of [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is FLSLAXJQCGXICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-15-13(2)12-16(24-15)18(23)21-10-8-20(9-11-21)17(22)14-4-6-19-7-5-14/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 327.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 71967719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).