2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide

C20H21ClF3N3O2 — CID 46465883

IUPAC2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H21ClF3N3O2/c1-13-10-15(21)3-4-17(13)29-12-19(28)26-16-6-8-27(9-7-16)18-5-2-14(11-25-18)20(22,23)24/h2-5,10-11,16H,6-9,12H2,1H3,(H,26,28)
InChIKeyHVIFZIHEEYACOG-UHFFFAOYSA-N
MW427.85 g/mol
LogP4.23
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 46465883) has the molecular formula C20H21ClF3N3O2 and a molecular weight of 427.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
PubChem CID46465883
Molecular FormulaC20H21ClF3N3O2
Molecular Weight427.85 g/mol
Exact Mass427.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H21ClF3N3O2/c1-13-10-15(21)3-4-17(13)29-12-19(28)26-16-6-8-27(9-7-16)18-5-2-14(11-25-18)20(22,23)24/h2-5,10-11,16H,6-9,12H2,1H3,(H,26,28)
InChIKeyHVIFZIHEEYACOG-UHFFFAOYSA-N
XLogP4.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55708412
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407
2-[(2-chlorophenyl)methoxy]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55777562
2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708556
2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55764655
3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 55708355
(E)-3-(3-chloro-4-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]prop-2-enamide
CID 55708616
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
4,5-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46485755
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide;methane
CID 158663589
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide (CID 46465883) is 2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is HVIFZIHEEYACOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O2/c1-13-10-15(21)3-4-17(13)29-12-19(28)26-16-6-8-27(9-7-16)18-5-2-14(11-25-18)20(22,23)24/h2-5,10-11,16H,6-9,12H2,1H3,(H,26,28).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 427.85 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 46465883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).