1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide

C20H21FN2O3 — CID 42925910

IUPAC1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H21FN2O3/c21-18-10-8-16(9-11-18)20(25)23-12-4-7-17(13-23)19(24)22-26-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,22,24)
InChIKeyZIIHEVBJJYQPJN-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.93
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide (PubChem CID 42925910) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide
PubChem CID42925910
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H21FN2O3/c21-18-10-8-16(9-11-18)20(25)23-12-4-7-17(13-23)19(24)22-26-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,22,24)
InChIKeyZIIHEVBJJYQPJN-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide (CID 42925910) is 1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide is O=C(NOCc1ccccc1)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide?
The InChIKey is ZIIHEVBJJYQPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-18-10-8-16(9-11-18)20(25)23-12-4-7-17(13-23)19(24)22-26-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,22,24).
What are the key properties of 1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide is sourced from PubChem (CID 42925910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).