N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide

C20H23F2N3O2 — CID 139574217

IUPACN-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(C)nc(-c3ccc(O)c(C(F)F)c3)c2)CC1
InChIInChI=1S/C20H23F2N3O2/c1-12-9-16(25-7-5-15(6-8-25)24-13(2)26)11-18(23-12)14-3-4-19(27)17(10-14)20(21)22/h3-4,9-11,15,20,27H,5-8H2,1-2H3,(H,24,26)
InChIKeyAOLVIAUSVHJPJB-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.81
Rot. Bonds4

About N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide

N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 139574217) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide
PubChem CID139574217
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC NameN-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(C)nc(-c3ccc(O)c(C(F)F)c3)c2)CC1
InChIInChI=1S/C20H23F2N3O2/c1-12-9-16(25-7-5-15(6-8-25)24-13(2)26)11-18(23-12)14-3-4-19(27)17(10-14)20(21)22/h3-4,9-11,15,20,27H,5-8H2,1-2H3,(H,24,26)
InChIKeyAOLVIAUSVHJPJB-UHFFFAOYSA-N
XLogP3.81
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide (CID 139574217) is N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2cc(C)nc(-c3ccc(O)c(C(F)F)c3)c2)CC1.
What is the InChIKey of N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is AOLVIAUSVHJPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-12-9-16(25-7-5-15(6-8-25)24-13(2)26)11-18(23-12)14-3-4-19(27)17(10-14)20(21)22/h3-4,9-11,15,20,27H,5-8H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide?
N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 375.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 139574217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).