[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone

C15H15ClN2O2 — CID 24857857

IUPAC[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCNCC1
InChIInChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)13-5-6-14(20-13)15(19)18-9-7-17-8-10-18/h1-6,17H,7-10H2
InChIKeyFSVUGYFGMKVKHY-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.65
Rot. Bonds2

About [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone

[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone (PubChem CID 24857857) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
PubChem CID24857857
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCNCC1
InChIInChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)13-5-6-14(20-13)15(19)18-9-7-17-8-10-18/h1-6,17H,7-10H2
InChIKeyFSVUGYFGMKVKHY-UHFFFAOYSA-N
XLogP2.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 44585671
[5-(4-chlorophenyl)furan-2-yl]-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]methanone
CID 17335544
4-[4-[5-(4-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 22109039
[5-(4-chlorophenyl)furan-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 30275578
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
N-[(4S,5S)-1-[5-(4-chlorophenyl)furan-2-carbonyl]-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110164328
5-(4-chlorophenyl)-N-ethyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
CID 70695898
[5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997190
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 18106367

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone (CID 24857857) is [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone is O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCNCC1.
What is the InChIKey of [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone?
The InChIKey is FSVUGYFGMKVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)13-5-6-14(20-13)15(19)18-9-7-17-8-10-18/h1-6,17H,7-10H2.
What are the key properties of [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone?
[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone has a molecular weight of 290.75 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 24857857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).