N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide

C23H28FN3O3 — CID 91903601

IUPACN-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(OCC(=O)NCCC2CCN(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C23H28FN3O3/c1-17-6-8-19(9-7-17)30-16-22(28)25-13-10-18-11-14-27(15-12-18)23(29)26-21-5-3-2-4-20(21)24/h2-9,18H,10-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyWNTSCXNWVQOJKS-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.96
Rot. Bonds7

About N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide

N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide (PubChem CID 91903601) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide
PubChem CID91903601
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(OCC(=O)NCCC2CCN(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C23H28FN3O3/c1-17-6-8-19(9-7-17)30-16-22(28)25-13-10-18-11-14-27(15-12-18)23(29)26-21-5-3-2-4-20(21)24/h2-9,18H,10-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyWNTSCXNWVQOJKS-UHFFFAOYSA-N
XLogP3.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91913268
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305
N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
CID 91903548
N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91913260
N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide
CID 91911279
N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
CID 91913300
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515633
2-(3,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 99702462
4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91903569
4-[2-[(2-methoxybenzoyl)amino]ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913285

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide (CID 91903601) is N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide is Cc1ccc(OCC(=O)NCCC2CCN(C(=O)Nc3ccccc3F)CC2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide?
The InChIKey is WNTSCXNWVQOJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-17-6-8-19(9-7-17)30-16-22(28)25-13-10-18-11-14-27(15-12-18)23(29)26-21-5-3-2-4-20(21)24/h2-9,18H,10-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide?
N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 91903601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).