N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C22H25FN2O3 — CID 86931753

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)ccc1F
InChIInChI=1S/C22H25FN2O3/c1-16-13-17(7-8-20(16)23)14-24-22(27)18-9-11-25(12-10-18)21(26)15-28-19-5-3-2-4-6-19/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,27)
InChIKeyAHYNKCJRZWGVFQ-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.07
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 86931753) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID86931753
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)ccc1F
InChIInChI=1S/C22H25FN2O3/c1-16-13-17(7-8-20(16)23)14-24-22(27)18-9-11-25(12-10-18)21(26)15-28-19-5-3-2-4-6-19/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,27)
InChIKeyAHYNKCJRZWGVFQ-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55660795
N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 26456516
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003971
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631254
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55762545
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(methylamino)acetyl]piperidine-4-carboxamide
CID 119720842
1-(3-amino-3-phenylpropanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119949794

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 86931753) is N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is Cc1cc(CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is AHYNKCJRZWGVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-16-13-17(7-8-20(16)23)14-24-22(27)18-9-11-25(12-10-18)21(26)15-28-19-5-3-2-4-6-19/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,27).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 86931753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).