1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one

C21H23FN2O3 — CID 17418153

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H23FN2O3/c22-18-4-2-1-3-17(18)19-9-7-16(27-19)8-10-20(25)23-11-13-24(14-12-23)21(26)15-5-6-15/h1-4,7,9,15H,5-6,8,10-14H2
InChIKeyHPTHNUCQUHOPHC-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.10
Rot. Bonds5

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one (PubChem CID 17418153) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one
PubChem CID17418153
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H23FN2O3/c22-18-4-2-1-3-17(18)19-9-7-16(27-19)8-10-20(25)23-11-13-24(14-12-23)21(26)15-5-6-15/h1-4,7,9,15H,5-6,8,10-14H2
InChIKeyHPTHNUCQUHOPHC-UHFFFAOYSA-N
XLogP3.10
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one (CID 17418153) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one is O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one?
The InChIKey is HPTHNUCQUHOPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-18-4-2-1-3-17(18)19-9-7-16(27-19)8-10-20(25)23-11-13-24(14-12-23)21(26)15-5-6-15/h1-4,7,9,15H,5-6,8,10-14H2.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one has a molecular weight of 370.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one is sourced from PubChem (CID 17418153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).