1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one

C20H20N2O4 — CID 32538724

IUPAC1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C20H20N2O4/c23-19(8-7-16-5-3-13-25-16)21-9-11-22(12-10-21)20(24)18-14-15-4-1-2-6-17(15)26-18/h1-6,13-14H,7-12H2
InChIKeyKVJRRQZQYKCCKH-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.94
Rot. Bonds4

About 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one

1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 32538724) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID32538724
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C20H20N2O4/c23-19(8-7-16-5-3-13-25-16)21-9-11-22(12-10-21)20(24)18-14-15-4-1-2-6-17(15)26-18/h1-6,13-14H,7-12H2
InChIKeyKVJRRQZQYKCCKH-UHFFFAOYSA-N
XLogP2.94
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one
CID 105131499
3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110311024
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
(3R)-3-amino-1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70693039
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 51896827
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51896830
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77012011
3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 28780592

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one (CID 32538724) is 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)N1CCN(C(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is KVJRRQZQYKCCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19(8-7-16-5-3-13-25-16)21-9-11-22(12-10-21)20(24)18-14-15-4-1-2-6-17(15)26-18/h1-6,13-14H,7-12H2.
What are the key properties of 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 352.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 32538724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).