[4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

C14H14Cl2N3O2+ — CID 6987485

IUPAC[4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2[nH+]cc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H13Cl2N3O2/c15-10-8-11(16)13(17-9-10)18-3-5-19(6-4-18)14(20)12-2-1-7-21-12/h1-2,7-9H,3-6H2/p+1
InChIKeyXQDOWZXYEIZNNN-UHFFFAOYSA-O
MW327.19 g/mol
LogP2.36
Rot. Bonds2

About [4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 6987485) has the molecular formula C14H14Cl2N3O2+ and a molecular weight of 327.19 g/mol. Its IUPAC name is [4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID6987485
Molecular FormulaC14H14Cl2N3O2+
Molecular Weight327.19 g/mol
Exact Mass326.05
IUPAC Name[4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2[nH+]cc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H13Cl2N3O2/c15-10-8-11(16)13(17-9-10)18-3-5-19(6-4-18)14(20)12-2-1-7-21-12/h1-2,7-9H,3-6H2/p+1
InChIKeyXQDOWZXYEIZNNN-UHFFFAOYSA-O
XLogP2.36
TPSA50.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
[4-(2-chloro-4-pyrrol-1-ylphenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91674750
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990328
[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 8548683
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 86778300
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47137505
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 6987485) is [4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2[nH+]cc(Cl)cc2Cl)CC1.
What is the InChIKey of [4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is XQDOWZXYEIZNNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13Cl2N3O2/c15-10-8-11(16)13(17-9-10)18-3-5-19(6-4-18)14(20)12-2-1-7-21-12/h1-2,7-9H,3-6H2/p+1.
What are the key properties of [4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 327.19 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 6987485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).