1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide

C18H24FN3O2 — CID 113004650

IUPAC1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C18H24FN3O2/c19-16-4-2-1-3-13(16)7-10-20-17(23)14-8-11-22(12-9-14)18(24)21-15-5-6-15/h1-4,14-15H,5-12H2,(H,20,23)(H,21,24)
InChIKeyYLSITOYAYWONMK-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.07
Rot. Bonds5

About 1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide

1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide (PubChem CID 113004650) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
PubChem CID113004650
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C18H24FN3O2/c19-16-4-2-1-3-13(16)7-10-20-17(23)14-8-11-22(12-9-14)18(24)21-15-5-6-15/h1-4,14-15H,5-12H2,(H,20,23)(H,21,24)
InChIKeyYLSITOYAYWONMK-UHFFFAOYSA-N
XLogP2.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
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-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
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
N-[2-(2-fluorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27848033
1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779052
N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
CID 55779298
N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 113004651

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide (CID 113004650) is 1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide is O=C(NCCc1ccccc1F)C1CCN(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is YLSITOYAYWONMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-16-4-2-1-3-13(16)7-10-20-17(23)14-8-11-22(12-9-14)18(24)21-15-5-6-15/h1-4,14-15H,5-12H2,(H,20,23)(H,21,24).
What are the key properties of 1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 113004650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).