[1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C23H26FN3O2 — CID 3482073

IUPAC[1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H26FN3O2/c24-20-8-4-6-18(16-20)22(28)27-11-5-7-19(17-27)23(29)26-14-12-25(13-15-26)21-9-2-1-3-10-21/h1-4,6,8-10,16,19H,5,7,11-15,17H2
InChIKeyXRKLPDGZZRRDCH-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.03
Rot. Bonds3

About [1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 3482073) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is [1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID3482073
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name[1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H26FN3O2/c24-20-8-4-6-18(16-20)22(28)27-11-5-7-19(17-27)23(29)26-14-12-25(13-15-26)21-9-2-1-3-10-21/h1-4,6,8-10,16,19H,5,7,11-15,17H2
InChIKeyXRKLPDGZZRRDCH-UHFFFAOYSA-N
XLogP3.03
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 3482073) is [1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of [1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XRKLPDGZZRRDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-20-8-4-6-18(16-20)22(28)27-11-5-7-19(17-27)23(29)26-14-12-25(13-15-26)21-9-2-1-3-10-21/h1-4,6,8-10,16,19H,5,7,11-15,17H2.
What are the key properties of [1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 395.48 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 3482073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).