1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide

C22H25FN2O3 — CID 46065026

IUPAC1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(c2ccccc2)CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C22H25FN2O3/c1-28-12-11-24-21(26)18-13-17(16-7-3-2-4-8-16)14-25(15-18)22(27)19-9-5-6-10-20(19)23/h2-10,17-18H,11-15H2,1H3,(H,24,26)
InChIKeyZNZBIZAJUZOVQC-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.83
Rot. Bonds6

About 1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide

1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 46065026) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
PubChem CID46065026
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(c2ccccc2)CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C22H25FN2O3/c1-28-12-11-24-21(26)18-13-17(16-7-3-2-4-8-16)14-25(15-18)22(27)19-9-5-6-10-20(19)23/h2-10,17-18H,11-15H2,1H3,(H,24,26)
InChIKeyZNZBIZAJUZOVQC-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

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CID 9841259
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N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493
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CID 667749
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzamide
CID 14783860
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide hydrochloride
CID 14783873
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960
N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 11585987
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CID 89581602

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide (CID 46065026) is 1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide is COCCNC(=O)C1CC(c2ccccc2)CN(C(=O)c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is ZNZBIZAJUZOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-28-12-11-24-21(26)18-13-17(16-7-3-2-4-8-16)14-25(15-18)22(27)19-9-5-6-10-20(19)23/h2-10,17-18H,11-15H2,1H3,(H,24,26).
What are the key properties of 1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide?
1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 46065026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).