4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

C23H27FN4O2 — CID 2494994

IUPAC4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C23H27FN4O2/c24-20-8-4-5-9-21(20)26-14-16-27(17-15-26)22(29)18-10-12-28(13-11-18)23(30)25-19-6-2-1-3-7-19/h1-9,18H,10-17H2,(H,25,30)
InChIKeyWSCNLOIAJZJHDL-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.42
Rot. Bonds3

About 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 2494994) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
PubChem CID2494994
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C23H27FN4O2/c24-20-8-4-5-9-21(20)26-14-16-27(17-15-26)22(29)18-10-12-28(13-11-18)23(30)25-19-6-2-1-3-7-19/h1-9,18H,10-17H2,(H,25,30)
InChIKeyWSCNLOIAJZJHDL-UHFFFAOYSA-N
XLogP3.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (CID 2494994) is 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is WSCNLOIAJZJHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c24-20-8-4-5-9-21(20)26-14-16-27(17-15-26)22(29)18-10-12-28(13-11-18)23(30)25-19-6-2-1-3-7-19/h1-9,18H,10-17H2,(H,25,30).
What are the key properties of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 2494994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).