[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone

C24H28FN3O2 — CID 1075441

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C24H28FN3O2/c1-18-6-8-19(9-7-18)23(29)27-12-10-20(11-13-27)24(30)28-16-14-26(15-17-28)22-5-3-2-4-21(22)25/h2-9,20H,10-17H2,1H3
InChIKeyFVHVSLJWMYGWKH-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.34
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone (PubChem CID 1075441) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
PubChem CID1075441
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C24H28FN3O2/c1-18-6-8-19(9-7-18)23(29)27-12-10-20(11-13-27)24(30)28-16-14-26(15-17-28)22-5-3-2-4-21(22)25/h2-9,20H,10-17H2,1H3
InChIKeyFVHVSLJWMYGWKH-UHFFFAOYSA-N
XLogP3.34
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone (CID 1075441) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone is Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is FVHVSLJWMYGWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-18-6-8-19(9-7-18)23(29)27-12-10-20(11-13-27)24(30)28-16-14-26(15-17-28)22-5-3-2-4-21(22)25/h2-9,20H,10-17H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 409.51 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 1075441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).