N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide

C19H18F5N3O2 — CID 139557325

IUPACN-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccnc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c2)CC1
InChIInChI=1S/C19H18F5N3O2/c1-11(28)26-13-3-6-27(7-4-13)14-2-5-25-17(10-14)12-8-15(20)18(16(21)9-12)29-19(22,23)24/h2,5,8-10,13H,3-4,6-7H2,1H3,(H,26,28)
InChIKeyXQYYCLMNFRYTAW-UHFFFAOYSA-N
MW415.36 g/mol
LogP4.03
Rot. Bonds4

About N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide

N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 139557325) has the molecular formula C19H18F5N3O2 and a molecular weight of 415.36 g/mol. Its IUPAC name is N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide
PubChem CID139557325
Molecular FormulaC19H18F5N3O2
Molecular Weight415.36 g/mol
Exact Mass415.13
IUPAC NameN-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccnc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c2)CC1
InChIInChI=1S/C19H18F5N3O2/c1-11(28)26-13-3-6-27(7-4-13)14-2-5-25-17(10-14)12-8-15(20)18(16(21)9-12)29-19(22,23)24/h2,5,8-10,13H,3-4,6-7H2,1H3,(H,26,28)
InChIKeyXQYYCLMNFRYTAW-UHFFFAOYSA-N
XLogP4.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-[3-(difluoromethoxy)-4-fluorophenyl]-4-pyridinyl]piperidin-4-yl]acetamide
CID 139557239
N-[1-[2-cyano-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide
CID 139557350
N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide
CID 60583825
1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 139573877
N-[1-[6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 139557401
[1-[6-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]carbamic acid
CID 139557461
[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
N-[1-[2-[3-(difluoromethyl)-4-hydroxyphenyl]-6-methyl-4-pyridinyl]piperidin-4-yl]acetamide
CID 139574217
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
1-[2-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 67218664

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide (CID 139557325) is N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2ccnc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c2)CC1.
What is the InChIKey of N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is XQYYCLMNFRYTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N3O2/c1-11(28)26-13-3-6-27(7-4-13)14-2-5-25-17(10-14)12-8-15(20)18(16(21)9-12)29-19(22,23)24/h2,5,8-10,13H,3-4,6-7H2,1H3,(H,26,28).
What are the key properties of N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide?
N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 415.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 139557325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).