[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

C14H15N3O3 — CID 27545815

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H15N3O3/c18-13(11-3-1-5-15-11)16-6-8-17(9-7-16)14(19)12-4-2-10-20-12/h1-5,10,15H,6-9H2
InChIKeyFMRLFHWEPNGQFY-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.21
Rot. Bonds2

About [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 27545815) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID27545815
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H15N3O3/c18-13(11-3-1-5-15-11)16-6-8-17(9-7-16)14(19)12-4-2-10-20-12/h1-5,10,15H,6-9H2
InChIKeyFMRLFHWEPNGQFY-UHFFFAOYSA-N
XLogP1.21
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 27545815) is [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is FMRLFHWEPNGQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(11-3-1-5-15-11)16-6-8-17(9-7-16)14(19)12-4-2-10-20-12/h1-5,10,15H,6-9H2.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 273.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 27545815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).