N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide

C25H31FN4O2 — CID 53138135

IUPACN-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide
SMILESO=C(CCC1CCCN(C(=O)Nc2cccc(F)c2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H31FN4O2/c26-21-7-4-8-22(18-21)27-25(32)30-13-5-6-20(19-30)11-12-24(31)29-16-14-28(15-17-29)23-9-2-1-3-10-23/h1-4,7-10,18,20H,5-6,11-17,19H2,(H,27,32)
InChIKeyLHLVDYLJNZSAJD-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.20
Rot. Bonds5

About N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide

N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide (PubChem CID 53138135) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide
PubChem CID53138135
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC NameN-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide
SMILESO=C(CCC1CCCN(C(=O)Nc2cccc(F)c2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H31FN4O2/c26-21-7-4-8-22(18-21)27-25(32)30-13-5-6-20(19-30)11-12-24(31)29-16-14-28(15-17-29)23-9-2-1-3-10-23/h1-4,7-10,18,20H,5-6,11-17,19H2,(H,27,32)
InChIKeyLHLVDYLJNZSAJD-UHFFFAOYSA-N
XLogP4.20
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide (CID 53138135) is N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide is O=C(CCC1CCCN(C(=O)Nc2cccc(F)c2)C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide?
The InChIKey is LHLVDYLJNZSAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c26-21-7-4-8-22(18-21)27-25(32)30-13-5-6-20(19-30)11-12-24(31)29-16-14-28(15-17-29)23-9-2-1-3-10-23/h1-4,7-10,18,20H,5-6,11-17,19H2,(H,27,32).
What are the key properties of N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide?
N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 53138135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).