N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide

C22H30FN5O2 — CID 60503977

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(CC(=O)Nc3c(C)nn(C)c3C)CC2)cc1F
InChIInChI=1S/C22H30FN5O2/c1-14-5-6-17(11-19(14)23)12-24-22(30)18-7-9-28(10-8-18)13-20(29)25-21-15(2)26-27(4)16(21)3/h5-6,11,18H,7-10,12-13H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyCFBCSGRQHBOMMT-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.45
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide

N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide (PubChem CID 60503977) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide
PubChem CID60503977
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(CC(=O)Nc3c(C)nn(C)c3C)CC2)cc1F
InChIInChI=1S/C22H30FN5O2/c1-14-5-6-17(11-19(14)23)12-24-22(30)18-7-9-28(10-8-18)13-20(29)25-21-15(2)26-27(4)16(21)3/h5-6,11,18H,7-10,12-13H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyCFBCSGRQHBOMMT-UHFFFAOYSA-N
XLogP2.45
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 112841618
N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-hydroxypentyl)piperidine-4-carboxamide
CID 110923817
2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51287553
1-[2-(4-chlorophenyl)sulfanylethyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55738066
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
CID 124689641
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(methylamino)acetyl]piperidine-4-carboxamide
CID 119720842
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167
1-[(2R)-2-aminopropanoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119287979
N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
CID 55860572

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide (CID 60503977) is N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(CC(=O)Nc3c(C)nn(C)c3C)CC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide?
The InChIKey is CFBCSGRQHBOMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-14-5-6-17(11-19(14)23)12-24-22(30)18-7-9-28(10-8-18)13-20(29)25-21-15(2)26-27(4)16(21)3/h5-6,11,18H,7-10,12-13H2,1-4H3,(H,24,30)(H,25,29).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide?
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 60503977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).