2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C23H23F2N3O2S — CID 138998762

IUPAC2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CN1CCC(Oc2ccc(F)cc2F)CC1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C23H23F2N3O2S/c24-17-6-7-20(19(25)14-17)30-18-8-11-28(12-9-18)15-21(29)27-22(23-26-10-13-31-23)16-4-2-1-3-5-16/h1-7,10,13-14,18,22H,8-9,11-12,15H2,(H,27,29)
InChIKeyUINZRBZADMIICN-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.17
Rot. Bonds7

About 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 138998762) has the molecular formula C23H23F2N3O2S and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID138998762
Molecular FormulaC23H23F2N3O2S
Molecular Weight443.52 g/mol
Exact Mass443.15
IUPAC Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CN1CCC(Oc2ccc(F)cc2F)CC1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C23H23F2N3O2S/c24-17-6-7-20(19(25)14-17)30-18-8-11-28(12-9-18)15-21(29)27-22(23-26-10-13-31-23)16-4-2-1-3-5-16/h1-7,10,13-14,18,22H,8-9,11-12,15H2,(H,27,29)
InChIKeyUINZRBZADMIICN-UHFFFAOYSA-N
XLogP4.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 95142220
2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541033
2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541158
N-[phenyl(1,3-thiazol-2-yl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 56541220
2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 166324263
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56540997
1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid
CID 88542127
2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571018
2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571081
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 98854382
methyl 1-[2-oxo-2-[[phenyl(1,3-thiazol-2-yl)methyl]amino]ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 56541229
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 138998762) is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is O=C(CN1CCC(Oc2ccc(F)cc2F)CC1)NC(c1ccccc1)c1nccs1.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is UINZRBZADMIICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2S/c24-17-6-7-20(19(25)14-17)30-18-8-11-28(12-9-18)15-21(29)27-22(23-26-10-13-31-23)16-4-2-1-3-5-16/h1-7,10,13-14,18,22H,8-9,11-12,15H2,(H,27,29).
What are the key properties of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 443.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 138998762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).