N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

C19H24F2N4O2 — CID 166183669

IUPACN-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(c2ccn[nH]2)C1)NCCc1ccccc1OC(F)F
InChIInChI=1S/C19H24F2N4O2/c20-19(21)27-17-6-2-1-4-14(17)7-9-22-18(26)13-25-11-3-5-15(12-25)16-8-10-23-24-16/h1-2,4,6,8,10,15,19H,3,5,7,9,11-13H2,(H,22,26)(H,23,24)
InChIKeyJDICBZLSJMYCOH-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.55
Rot. Bonds8

About N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 166183669) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
PubChem CID166183669
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC NameN-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(c2ccn[nH]2)C1)NCCc1ccccc1OC(F)F
InChIInChI=1S/C19H24F2N4O2/c20-19(21)27-17-6-2-1-4-14(17)7-9-22-18(26)13-25-11-3-5-15(12-25)16-8-10-23-24-16/h1-2,4,6,8,10,15,19H,3,5,7,9,11-13H2,(H,22,26)(H,23,24)
InChIKeyJDICBZLSJMYCOH-UHFFFAOYSA-N
XLogP2.55
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760381
2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 129426223
N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760359
N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760417
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 100836737
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 129402938
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104503
2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97270306
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99858566
2-(2-phenylethoxy)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95768623

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (CID 166183669) is N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is O=C(CN1CCCC(c2ccn[nH]2)C1)NCCc1ccccc1OC(F)F.
What is the InChIKey of N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is JDICBZLSJMYCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c20-19(21)27-17-6-2-1-4-14(17)7-9-22-18(26)13-25-11-3-5-15(12-25)16-8-10-23-24-16/h1-2,4,6,8,10,15,19H,3,5,7,9,11-13H2,(H,22,26)(H,23,24).
What are the key properties of N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 378.42 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 166183669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).