[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone

C20H17ClN2O4 — CID 32532166

IUPAC[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C20H17ClN2O4/c21-16-4-2-1-3-15(16)17-5-6-18(27-17)20(25)23-10-8-22(9-11-23)19(24)14-7-12-26-13-14/h1-7,12-13H,8-11H2
InChIKeyKIXKSHXBSKBYOB-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.79
Rot. Bonds3

About [4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 32532166) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is [4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID32532166
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C20H17ClN2O4/c21-16-4-2-1-3-15(16)17-5-6-18(27-17)20(25)23-10-8-22(9-11-23)19(24)14-7-12-26-13-14/h1-7,12-13H,8-11H2
InChIKeyKIXKSHXBSKBYOB-UHFFFAOYSA-N
XLogP3.79
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 18157487
[5-(2-chlorophenyl)furan-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 40676181
1-[4-[5-(2-chlorophenyl)furan-2-carbothioyl]piperazin-1-yl]ethanone
CID 5069748
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42000409
[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 18105311
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156852
[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34834678
[5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 8530152
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone (CID 32532166) is [4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of [4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is KIXKSHXBSKBYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-16-4-2-1-3-15(16)17-5-6-18(27-17)20(25)23-10-8-22(9-11-23)19(24)14-7-12-26-13-14/h1-7,12-13H,8-11H2.
What are the key properties of [4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 384.82 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 32532166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).