N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide

C19H22F2N4O — CID 91837450

IUPACN-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide
SMILESCc1nccc(C2CCN(CCC(=O)Nc3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C19H22F2N4O/c1-13-22-8-4-17(23-13)14-5-9-25(10-6-14)11-7-19(26)24-18-12-15(20)2-3-16(18)21/h2-4,8,12,14H,5-7,9-11H2,1H3,(H,24,26)
InChIKeyYCCJLVIUEUBGDJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.27
Rot. Bonds5

About N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide

N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide (PubChem CID 91837450) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide
PubChem CID91837450
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide
SMILESCc1nccc(C2CCN(CCC(=O)Nc3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C19H22F2N4O/c1-13-22-8-4-17(23-13)14-5-9-25(10-6-14)11-7-19(26)24-18-12-15(20)2-3-16(18)21/h2-4,8,12,14H,5-7,9-11H2,1H3,(H,24,26)
InChIKeyYCCJLVIUEUBGDJ-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide (CID 91837450) is N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide is Cc1nccc(C2CCN(CCC(=O)Nc3cc(F)ccc3F)CC2)n1.
What is the InChIKey of N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide?
The InChIKey is YCCJLVIUEUBGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c1-13-22-8-4-17(23-13)14-5-9-25(10-6-14)11-7-19(26)24-18-12-15(20)2-3-16(18)21/h2-4,8,12,14H,5-7,9-11H2,1H3,(H,24,26).
What are the key properties of N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide?
N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide has a molecular weight of 360.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 91837450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).