N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide

C20H18F4N4O2 — CID 139557350

IUPACN-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(C#N)nc(-c3ccc(OC(F)(F)F)c(F)c3)c2)CC1
InChIInChI=1S/C20H18F4N4O2/c1-12(29)26-14-4-6-28(7-5-14)16-9-15(11-25)27-18(10-16)13-2-3-19(17(21)8-13)30-20(22,23)24/h2-3,8-10,14H,4-7H2,1H3,(H,26,29)
InChIKeyRQAQFMUMIJACHO-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.76
Rot. Bonds4

About N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide

N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 139557350) has the molecular formula C20H18F4N4O2 and a molecular weight of 422.38 g/mol. Its IUPAC name is N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide
PubChem CID139557350
Molecular FormulaC20H18F4N4O2
Molecular Weight422.38 g/mol
Exact Mass422.14
IUPAC NameN-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(C#N)nc(-c3ccc(OC(F)(F)F)c(F)c3)c2)CC1
InChIInChI=1S/C20H18F4N4O2/c1-12(29)26-14-4-6-28(7-5-14)16-9-15(11-25)27-18(10-16)13-2-3-19(17(21)8-13)30-20(22,23)24/h2-3,8-10,14H,4-7H2,1H3,(H,26,29)
InChIKeyRQAQFMUMIJACHO-UHFFFAOYSA-N
XLogP3.76
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide
CID 139557325
N-[1-[6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 139557401
N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide
CID 60583825
[1-[6-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]carbamic acid
CID 139557461
N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide
CID 139574217
N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide
CID 139557239
1-[1-[6-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]propan-2-one
CID 139557382
N-[(3R,4R)-3-fluoro-1-[2-methyl-6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 139557336
N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide
CID 102817209
N-[[1-[6-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]azetidin-3-yl]methyl]acetamide
CID 139557251
tert-butyl N-[1-[4-cyano-6-(3-fluoro-4-isocyanophenyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 171743594
tert-butyl N-[1-[6-chloro-4-cyano-5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 169103081

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide (CID 139557350) is N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2cc(C#N)nc(-c3ccc(OC(F)(F)F)c(F)c3)c2)CC1.
What is the InChIKey of N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is RQAQFMUMIJACHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O2/c1-12(29)26-14-4-6-28(7-5-14)16-9-15(11-25)27-18(10-16)13-2-3-19(17(21)8-13)30-20(22,23)24/h2-3,8-10,14H,4-7H2,1H3,(H,26,29).
What are the key properties of N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 422.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 139557350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).