1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone

C24H28FN3O2 — CID 1075551

IUPAC1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H28FN3O2/c25-21-6-8-22(9-7-21)26-14-16-28(17-15-26)24(30)20-10-12-27(13-11-20)23(29)18-19-4-2-1-3-5-19/h1-9,20H,10-18H2
InChIKeyRWDJNTWJAYUGMU-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.96
Rot. Bonds4

About 1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone

1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone (PubChem CID 1075551) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
PubChem CID1075551
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H28FN3O2/c25-21-6-8-22(9-7-21)26-14-16-28(17-15-26)24(30)20-10-12-27(13-11-20)23(29)18-19-4-2-1-3-5-19/h1-9,20H,10-18H2
InChIKeyRWDJNTWJAYUGMU-UHFFFAOYSA-N
XLogP2.96
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone (CID 1075551) is 1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is RWDJNTWJAYUGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c25-21-6-8-22(9-7-21)26-14-16-28(17-15-26)24(30)20-10-12-27(13-11-20)23(29)18-19-4-2-1-3-5-19/h1-9,20H,10-18H2.
What are the key properties of 1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 409.51 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 1075551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).