1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

C23H34FN3O3 — CID 55738817

IUPAC1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCC1CN(C(=O)C(C)N2CCC(C(=O)NCCc3ccccc3F)CC2)CC(C)O1
InChIInChI=1S/C23H34FN3O3/c1-16-14-27(15-17(2)30-16)23(29)18(3)26-12-9-20(10-13-26)22(28)25-11-8-19-6-4-5-7-21(19)24/h4-7,16-18,20H,8-15H2,1-3H3,(H,25,28)
InChIKeyHTIBLJQNMOULFT-UHFFFAOYSA-N
MW419.54 g/mol
LogP2.22
Rot. Bonds6

About 1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55738817) has the molecular formula C23H34FN3O3 and a molecular weight of 419.54 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID55738817
Molecular FormulaC23H34FN3O3
Molecular Weight419.54 g/mol
Exact Mass419.26
IUPAC Name1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCC1CN(C(=O)C(C)N2CCC(C(=O)NCCc3ccccc3F)CC2)CC(C)O1
InChIInChI=1S/C23H34FN3O3/c1-16-14-27(15-17(2)30-16)23(29)18(3)26-12-9-20(10-13-26)22(28)25-11-8-19-6-4-5-7-21(19)24/h4-7,16-18,20H,8-15H2,1-3H3,(H,25,28)
InChIKeyHTIBLJQNMOULFT-UHFFFAOYSA-N
XLogP2.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide
CID 47047413
N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55842591
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149065
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 55779186
N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 55738817) is 1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is CC1CN(C(=O)C(C)N2CCC(C(=O)NCCc3ccccc3F)CC2)CC(C)O1.
What is the InChIKey of 1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is HTIBLJQNMOULFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O3/c1-16-14-27(15-17(2)30-16)23(29)18(3)26-12-9-20(10-13-26)22(28)25-11-8-19-6-4-5-7-21(19)24/h4-7,16-18,20H,8-15H2,1-3H3,(H,25,28).
What are the key properties of 1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 419.54 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55738817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).