1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide

C25H26FN3O3 — CID 24819426

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cc1F
InChIInChI=1S/C25H26FN3O3/c1-31-23-9-7-18(15-22(23)26)17-29-13-11-19(12-14-29)25(30)28-20-8-10-24(27-16-20)32-21-5-3-2-4-6-21/h2-10,15-16,19H,11-14,17H2,1H3,(H,28,30)
InChIKeyGMHPZRMQPJRBMJ-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.87
Rot. Bonds7

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide

1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 24819426) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
PubChem CID24819426
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cc1F
InChIInChI=1S/C25H26FN3O3/c1-31-23-9-7-18(15-22(23)26)17-29-13-11-19(12-14-29)25(30)28-20-8-10-24(27-16-20)32-21-5-3-2-4-6-21/h2-10,15-16,19H,11-14,17H2,1H3,(H,28,30)
InChIKeyGMHPZRMQPJRBMJ-UHFFFAOYSA-N
XLogP4.87
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide (CID 24819426) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide is COc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is GMHPZRMQPJRBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-31-23-9-7-18(15-22(23)26)17-29-13-11-19(12-14-29)25(30)28-20-8-10-24(27-16-20)32-21-5-3-2-4-6-21/h2-10,15-16,19H,11-14,17H2,1H3,(H,28,30).
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 24819426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).