[4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone

C15H15N3O3 — CID 695007

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H15N3O3/c19-14(12-3-1-5-16-11-12)17-6-8-18(9-7-17)15(20)13-4-2-10-21-13/h1-5,10-11H,6-9H2
InChIKeyJOUSTQQAZFCMGF-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.27
Rot. Bonds2

About [4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 695007) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID695007
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H15N3O3/c19-14(12-3-1-5-16-11-12)17-6-8-18(9-7-17)15(20)13-4-2-10-21-13/h1-5,10-11H,6-9H2
InChIKeyJOUSTQQAZFCMGF-UHFFFAOYSA-N
XLogP1.27
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 695007) is [4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is JOUSTQQAZFCMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(12-3-1-5-16-11-12)17-6-8-18(9-7-17)15(20)13-4-2-10-21-13/h1-5,10-11H,6-9H2.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 285.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 695007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).