N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide

C23H36F2N2O2 — CID 58622444

IUPACN-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C1CCCC(CCCC(C)(C)C)N1
InChIInChI=1S/C23H36F2N2O2/c1-15(28)26-21(13-16-11-17(24)14-18(25)12-16)22(29)20-9-5-7-19(27-20)8-6-10-23(2,3)4/h11-12,14,19-22,27,29H,5-10,13H2,1-4H3,(H,26,28)
InChIKeyNDTBCCAYLAGTIR-UHFFFAOYSA-N
MW410.55 g/mol
LogP4.10
Rot. Bonds8

About N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide

N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide (PubChem CID 58622444) has the molecular formula C23H36F2N2O2 and a molecular weight of 410.55 g/mol. Its IUPAC name is N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide
PubChem CID58622444
Molecular FormulaC23H36F2N2O2
Molecular Weight410.55 g/mol
Exact Mass410.27
IUPAC NameN-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C1CCCC(CCCC(C)(C)C)N1
InChIInChI=1S/C23H36F2N2O2/c1-15(28)26-21(13-16-11-17(24)14-18(25)12-16)22(29)20-9-5-7-19(27-20)8-6-10-23(2,3)4/h11-12,14,19-22,27,29H,5-10,13H2,1-4H3,(H,26,28)
InChIKeyNDTBCCAYLAGTIR-UHFFFAOYSA-N
XLogP4.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide (CID 58622444) is N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide is CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C1CCCC(CCCC(C)(C)C)N1.
What is the InChIKey of N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide?
The InChIKey is NDTBCCAYLAGTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36F2N2O2/c1-15(28)26-21(13-16-11-17(24)14-18(25)12-16)22(29)20-9-5-7-19(27-20)8-6-10-23(2,3)4/h11-12,14,19-22,27,29H,5-10,13H2,1-4H3,(H,26,28).
What are the key properties of N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide?
N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide has a molecular weight of 410.55 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluorophenyl)-1-[6-(4,4-dimethylpentyl)piperidin-2-yl]-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 58622444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).