N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide

C21H23FN2O2 — CID 113003928

IUPACN-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H23FN2O2/c22-19-8-4-7-17(13-19)14-20(25)24-11-9-18(10-12-24)21(26)23-15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,23,26)
InChIKeyGWSVKLWZLULDFI-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.92
Rot. Bonds5

About N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide

N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113003928) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
PubChem CID113003928
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H23FN2O2/c22-19-8-4-7-17(13-19)14-20(25)24-11-9-18(10-12-24)21(26)23-15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,23,26)
InChIKeyGWSVKLWZLULDFI-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
CID 87039839
1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973356
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
N-benzyl-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 38063205
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
4-[1-[2-(3-fluorophenyl)acetyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 113003789
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone
CID 53149268
N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
CID 78858542

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide (CID 113003928) is N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is GWSVKLWZLULDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-19-8-4-7-17(13-19)14-20(25)24-11-9-18(10-12-24)21(26)23-15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,23,26).
What are the key properties of N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113003928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).