2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide

C21H22F2N2O2 — CID 58442908

IUPAC2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide
SMILESCC(=O)N1CCC(CC(=O)Nc2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C21H22F2N2O2/c1-14(26)25-10-8-15(9-11-25)12-21(27)24-18-5-2-16(3-6-18)17-4-7-19(22)20(23)13-17/h2-7,13,15H,8-12H2,1H3,(H,24,27)
InChIKeyQSLNVKXIPHTTHK-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.22
Rot. Bonds4

About 2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide

2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide (PubChem CID 58442908) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide
PubChem CID58442908
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide
SMILESCC(=O)N1CCC(CC(=O)Nc2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C21H22F2N2O2/c1-14(26)25-10-8-15(9-11-25)12-21(27)24-18-5-2-16(3-6-18)17-4-7-19(22)20(23)13-17/h2-7,13,15H,8-12H2,1H3,(H,24,27)
InChIKeyQSLNVKXIPHTTHK-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide (CID 58442908) is 2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide is CC(=O)N1CCC(CC(=O)Nc2ccc(-c3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide?
The InChIKey is QSLNVKXIPHTTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-14(26)25-10-8-15(9-11-25)12-21(27)24-18-5-2-16(3-6-18)17-4-7-19(22)20(23)13-17/h2-7,13,15H,8-12H2,1H3,(H,24,27).
What are the key properties of 2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide?
2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide is sourced from PubChem (CID 58442908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).