N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

C23H28FN3O2 — CID 41415384

IUPACN-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1F
InChIInChI=1S/C23H28FN3O2/c1-17-7-8-19(13-21(17)24)15-25-22(28)16-27-11-9-20(10-12-27)23(29)26-14-18-5-3-2-4-6-18/h2-8,13,20H,9-12,14-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyWNUGVHMDEXXODP-UHFFFAOYSA-N
MW397.49 g/mol
LogP2.78
Rot. Bonds7

About N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 41415384) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID41415384
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1F
InChIInChI=1S/C23H28FN3O2/c1-17-7-8-19(13-21(17)24)15-25-22(28)16-27-11-9-20(10-12-27)23(29)26-14-18-5-3-2-4-6-18/h2-8,13,20H,9-12,14-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyWNUGVHMDEXXODP-UHFFFAOYSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 112841618
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 60503977
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-hydroxypentyl)piperidine-4-carboxamide
CID 110923817
N-[(3-fluoro-4-methylphenyl)methyl]-1-[[3-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 167749287
(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
CID 124689641
1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 167975349
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046327
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 41415384) is N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1F.
What is the InChIKey of N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is WNUGVHMDEXXODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17-7-8-19(13-21(17)24)15-25-22(28)16-27-11-9-20(10-12-27)23(29)26-14-18-5-3-2-4-6-18/h2-8,13,20H,9-12,14-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 41415384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).