3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

C21H22N4O2 — CID 9114353

IUPAC3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H22N4O2/c26-20(24-13-15-25(16-14-24)21-22-11-4-12-23-21)10-8-18-7-9-19(27-18)17-5-2-1-3-6-17/h1-7,9,11-12H,8,10,13-16H2
InChIKeyNMBQUZLUUSAUII-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.02
Rot. Bonds5

About 3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 9114353) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID9114353
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H22N4O2/c26-20(24-13-15-25(16-14-24)21-22-11-4-12-23-21)10-8-18-7-9-19(27-18)17-5-2-1-3-6-17/h1-7,9,11-12H,8,10,13-16H2
InChIKeyNMBQUZLUUSAUII-UHFFFAOYSA-N
XLogP3.02
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
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3-(5-phenylfuran-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one
CID 9111348
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 27041646
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 31399591
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 94472444
3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
N-phenyl-2-[4-[3-(5-phenylfuran-2-yl)propanoyl]piperazin-1-yl]acetamide
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(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124703973
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 16594239
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 9108423
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 120809401
3-(2-phenylethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (CID 9114353) is 3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is NMBQUZLUUSAUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(24-13-15-25(16-14-24)21-22-11-4-12-23-21)10-8-18-7-9-19(27-18)17-5-2-1-3-6-17/h1-7,9,11-12H,8,10,13-16H2.
What are the key properties of 3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 362.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 9114353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).