1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide

C15H20FN3O2 — CID 17428154

IUPAC1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H20FN3O2/c16-12-6-2-1-5-11(12)9-18-14(20)10-19-8-4-3-7-13(19)15(17)21/h1-2,5-6,13H,3-4,7-10H2,(H2,17,21)(H,18,20)
InChIKeyZGKNLMMIFFSPCS-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.78
Rot. Bonds5

About 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide

1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 17428154) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID17428154
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H20FN3O2/c16-12-6-2-1-5-11(12)9-18-14(20)10-19-8-4-3-7-13(19)15(17)21/h1-2,5-6,13H,3-4,7-10H2,(H2,17,21)(H,18,20)
InChIKeyZGKNLMMIFFSPCS-UHFFFAOYSA-N
XLogP0.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 40987983
2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916023
(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 95625732
1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 60501946
(3S)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55934491
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031194
N-[(2-fluorophenyl)methyl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045272
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
(2S,3aR,7aR)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125144172
1-phenacylpiperidine-2-carboxamide
CID 60681003

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide (CID 17428154) is 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1CC(=O)NCc1ccccc1F.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is ZGKNLMMIFFSPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-12-6-2-1-5-11(12)9-18-14(20)10-19-8-4-3-7-13(19)15(17)21/h1-2,5-6,13H,3-4,7-10H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 17428154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).