(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone

C16H14Cl2N2O3 — CID 32530613

IUPAC(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H14Cl2N2O3/c17-13-2-1-11(9-14(13)18)15(21)19-4-6-20(7-5-19)16(22)12-3-8-23-10-12/h1-3,8-10H,4-7H2
InChIKeyZSSWTQWZRWZGJX-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.18
Rot. Bonds2

About (3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone

(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 32530613) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.20 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
PubChem CID32530613
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.20 g/mol
Exact Mass352.04
IUPAC Name(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H14Cl2N2O3/c17-13-2-1-11(9-14(13)18)15(21)19-4-6-20(7-5-19)16(22)12-3-8-23-10-12/h1-3,8-10H,4-7H2
InChIKeyZSSWTQWZRWZGJX-UHFFFAOYSA-N
XLogP3.18
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 32532621
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
(3,4-dichlorophenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543920
2-[4-(furan-3-carbonyl)piperazine-1-carbonyl]fluoren-9-one
CID 32534624
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone (CID 32530613) is (3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone is O=C(c1ccoc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is ZSSWTQWZRWZGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-13-2-1-11(9-14(13)18)15(21)19-4-6-20(7-5-19)16(22)12-3-8-23-10-12/h1-3,8-10H,4-7H2.
What are the key properties of (3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 353.20 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 32530613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).