N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide

C22H25FN2O4 — CID 24762137

IUPACN-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C22H25FN2O4/c1-28-18-7-8-19(20(13-18)29-2)24-21(26)14-25-11-9-16(10-12-25)22(27)15-3-5-17(23)6-4-15/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyAWCNXOMBXWQJAF-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.38
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide (PubChem CID 24762137) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide
PubChem CID24762137
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C22H25FN2O4/c1-28-18-7-8-19(20(13-18)29-2)24-21(26)14-25-11-9-16(10-12-25)22(27)15-3-5-17(23)6-4-15/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyAWCNXOMBXWQJAF-UHFFFAOYSA-N
XLogP3.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide (CID 24762137) is N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide?
The InChIKey is AWCNXOMBXWQJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-28-18-7-8-19(20(13-18)29-2)24-21(26)14-25-11-9-16(10-12-25)22(27)15-3-5-17(23)6-4-15/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide has a molecular weight of 400.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 24762137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).