1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide

C22H25FN2O3 — CID 46067468

IUPAC1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3ccc(F)c(C)c3)N(C(C)=O)C2)cc1
InChIInChI=1S/C22H25FN2O3/c1-14-12-16(4-10-20(14)23)21-11-5-17(13-25(21)15(2)26)22(27)24-18-6-8-19(28-3)9-7-18/h4,6-10,12,17,21H,5,11,13H2,1-3H3,(H,24,27)
InChIKeyXCVCBDXOVZZFER-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.08
Rot. Bonds4

About 1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide

1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 46067468) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
PubChem CID46067468
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3ccc(F)c(C)c3)N(C(C)=O)C2)cc1
InChIInChI=1S/C22H25FN2O3/c1-14-12-16(4-10-20(14)23)21-11-5-17(13-25(21)15(2)26)22(27)24-18-6-8-19(28-3)9-7-18/h4,6-10,12,17,21H,5,11,13H2,1-3H3,(H,24,27)
InChIKeyXCVCBDXOVZZFER-UHFFFAOYSA-N
XLogP4.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide (CID 46067468) is 1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCC(c3ccc(F)c(C)c3)N(C(C)=O)C2)cc1.
What is the InChIKey of 1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is XCVCBDXOVZZFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-14-12-16(4-10-20(14)23)21-11-5-17(13-25(21)15(2)26)22(27)24-18-6-8-19(28-3)9-7-18/h4,6-10,12,17,21H,5,11,13H2,1-3H3,(H,24,27).
What are the key properties of 1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46067468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).