cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone

C19H20N2O3 — CID 166208842

IUPACcyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)o1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H20N2O3/c22-18(15-6-7-15)20-10-12-21(13-11-20)19(23)17-9-8-16(24-17)14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2
InChIKeyLUPDCMCYIKWNHX-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.64
Rot. Bonds3

About cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone

cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 166208842) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone
PubChem CID166208842
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namecyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)o1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H20N2O3/c22-18(15-6-7-15)20-10-12-21(13-11-20)19(23)17-9-8-16(24-17)14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2
InChIKeyLUPDCMCYIKWNHX-UHFFFAOYSA-N
XLogP2.64
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride
CID 163329487
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
CID 44585644
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone
CID 2474540
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[5-(4-fluorophenyl)furan-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17447640
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 131899516

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone (CID 166208842) is cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)o1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is LUPDCMCYIKWNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(15-6-7-15)20-10-12-21(13-11-20)19(23)17-9-8-16(24-17)14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2.
What are the key properties of cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166208842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).