N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide

C19H20F3N3O2 — CID 139557239

IUPACN-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccnc(-c3ccc(F)c(OC(F)F)c3)c2)CC1
InChIInChI=1S/C19H20F3N3O2/c1-12(26)24-14-5-8-25(9-6-14)15-4-7-23-17(11-15)13-2-3-16(20)18(10-13)27-19(21)22/h2-4,7,10-11,14,19H,5-6,8-9H2,1H3,(H,24,26)
InChIKeyYNCHYPYARJXMCM-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.59
Rot. Bonds5

About N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide

N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 139557239) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide
PubChem CID139557239
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccnc(-c3ccc(F)c(OC(F)F)c3)c2)CC1
InChIInChI=1S/C19H20F3N3O2/c1-12(26)24-14-5-8-25(9-6-14)15-4-7-23-17(11-15)13-2-3-16(20)18(10-13)27-19(21)22/h2-4,7,10-11,14,19H,5-6,8-9H2,1H3,(H,24,26)
InChIKeyYNCHYPYARJXMCM-UHFFFAOYSA-N
XLogP3.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide
CID 139557325
N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide
CID 139574217
N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide
CID 139557350
N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 139557346
N-[1-[6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 139557401
1-[2-(4-butyl-3-methylphenyl)-4-pyridinyl]-N-prop-1-en-2-ylpiperidin-4-amine
CID 153349341
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
1-[2-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 67218664
3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide
CID 91317429
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133300182

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide (CID 139557239) is N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2ccnc(-c3ccc(F)c(OC(F)F)c3)c2)CC1.
What is the InChIKey of N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is YNCHYPYARJXMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-12(26)24-14-5-8-25(9-6-14)15-4-7-23-17(11-15)13-2-3-16(20)18(10-13)27-19(21)22/h2-4,7,10-11,14,19H,5-6,8-9H2,1H3,(H,24,26).
What are the key properties of N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 379.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 139557239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).