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

C24H27N3O2S — CID 56541033

IUPAC2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CN1CCC(OCc2ccccc2)CC1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C24H27N3O2S/c28-22(26-23(24-25-13-16-30-24)20-9-5-2-6-10-20)17-27-14-11-21(12-15-27)29-18-19-7-3-1-4-8-19/h1-10,13,16,21,23H,11-12,14-15,17-18H2,(H,26,28)
InChIKeyFXBZTAJECDTXJF-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.03
Rot. Bonds8

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

2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56541033) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56541033
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CN1CCC(OCc2ccccc2)CC1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C24H27N3O2S/c28-22(26-23(24-25-13-16-30-24)20-9-5-2-6-10-20)17-27-14-11-21(12-15-27)29-18-19-7-3-1-4-8-19/h1-10,13,16,21,23H,11-12,14-15,17-18H2,(H,26,28)
InChIKeyFXBZTAJECDTXJF-UHFFFAOYSA-N
XLogP4.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.03
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-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541158
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 138998762
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-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571018
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56540997
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
2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571081
methyl 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxylate
CID 8754741
N-[cyclopropyl(phenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 86919337
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 98854382

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56541033) is 2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is O=C(CN1CCC(OCc2ccccc2)CC1)NC(c1ccccc1)c1nccs1.
What is the InChIKey of 2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is FXBZTAJECDTXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c28-22(26-23(24-25-13-16-30-24)20-9-5-2-6-10-20)17-27-14-11-21(12-15-27)29-18-19-7-3-1-4-8-19/h1-10,13,16,21,23H,11-12,14-15,17-18H2,(H,26,28).
What are the key properties of 2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 421.57 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56541033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).