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

C19H25N3O2S — CID 90621607

IUPAC2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCC2CCCN(c3nccs3)C2)cc1
InChIInChI=1S/C19H25N3O2S/c1-2-24-17-7-5-15(6-8-17)12-18(23)21-13-16-4-3-10-22(14-16)19-20-9-11-25-19/h5-9,11,16H,2-4,10,12-14H2,1H3,(H,21,23)
InChIKeyVQHNOVNBKQALNR-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.12
Rot. Bonds7

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

2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide (PubChem CID 90621607) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
PubChem CID90621607
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCC2CCCN(c3nccs3)C2)cc1
InChIInChI=1S/C19H25N3O2S/c1-2-24-17-7-5-15(6-8-17)12-18(23)21-13-16-4-3-10-22(14-16)19-20-9-11-25-19/h5-9,11,16H,2-4,10,12-14H2,1H3,(H,21,23)
InChIKeyVQHNOVNBKQALNR-UHFFFAOYSA-N
XLogP3.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 99875725
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621618
2-(6-oxopyridazin-1-yl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875789
1-(3,5-dimethoxyphenyl)-3-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]urea
CID 90621871
2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 90621946
N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
CID 99875760
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621837
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
CID 16895629
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 90621705
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 90621638

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide (CID 90621607) is 2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide is CCOc1ccc(CC(=O)NCC2CCCN(c3nccs3)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The InChIKey is VQHNOVNBKQALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-24-17-7-5-15(6-8-17)12-18(23)21-13-16-4-3-10-22(14-16)19-20-9-11-25-19/h5-9,11,16H,2-4,10,12-14H2,1H3,(H,21,23).
What are the key properties of 2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 90621607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).