N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide

C23H27FN2O3 — CID 87039839

IUPACN-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)CCCOc2cccc(F)c2)CC1
InChIInChI=1S/C23H27FN2O3/c24-20-8-4-9-21(16-20)29-15-5-10-22(27)26-13-11-19(12-14-26)23(28)25-17-18-6-2-1-3-7-18/h1-4,6-9,16,19H,5,10-15,17H2,(H,25,28)
InChIKeyYPFJIGPTDZWBOL-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.54
Rot. Bonds8

About N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide

N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide (PubChem CID 87039839) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
PubChem CID87039839
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC NameN-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)CCCOc2cccc(F)c2)CC1
InChIInChI=1S/C23H27FN2O3/c24-20-8-4-9-21(16-20)29-15-5-10-22(27)26-13-11-19(12-14-26)23(28)25-17-18-6-2-1-3-7-18/h1-4,6-9,16,19H,5,10-15,17H2,(H,25,28)
InChIKeyYPFJIGPTDZWBOL-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119563084
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-benzyl-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 38063205
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(3-fluorophenoxy)butan-1-one;hydrochloride
CID 119663996
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78904763
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 44765669
N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide
CID 135104743

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide (CID 87039839) is N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)CCCOc2cccc(F)c2)CC1.
What is the InChIKey of N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide?
The InChIKey is YPFJIGPTDZWBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c24-20-8-4-9-21(16-20)29-15-5-10-22(27)26-13-11-19(12-14-26)23(28)25-17-18-6-2-1-3-7-18/h1-4,6-9,16,19H,5,10-15,17H2,(H,25,28).
What are the key properties of N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide?
N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 87039839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).