N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide

C21H22F2N2O3 — CID 26040594

IUPACN-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
SMILESCOc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C21H22F2N2O3/c1-28-17-5-2-14(3-6-17)21(27)15-8-10-25(11-9-15)13-20(26)24-16-4-7-18(22)19(23)12-16/h2-7,12,15H,8-11,13H2,1H3,(H,24,26)
InChIKeyLCQQGTPKDXWYSQ-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.51
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide

N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide (PubChem CID 26040594) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
PubChem CID26040594
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC NameN-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
SMILESCOc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C21H22F2N2O3/c1-28-17-5-2-14(3-6-17)21(27)15-8-10-25(11-9-15)13-20(26)24-16-4-7-18(22)19(23)12-16/h2-7,12,15H,8-11,13H2,1H3,(H,24,26)
InChIKeyLCQQGTPKDXWYSQ-UHFFFAOYSA-N
XLogP3.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide (CID 26040594) is N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide is COc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
The InChIKey is LCQQGTPKDXWYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-28-17-5-2-14(3-6-17)21(27)15-8-10-25(11-9-15)13-20(26)24-16-4-7-18(22)19(23)12-16/h2-7,12,15H,8-11,13H2,1H3,(H,24,26).
What are the key properties of N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide has a molecular weight of 388.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 26040594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).