N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide

C17H21N3O3S — CID 163345188

IUPACN-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCC(Oc3nccs3)CC2)c1
InChIInChI=1S/C17H21N3O3S/c1-22-15-4-2-3-13(11-15)19-16(21)12-20-8-5-14(6-9-20)23-17-18-7-10-24-17/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,19,21)
InChIKeyAYBPDRVVKKASMO-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.63
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide (PubChem CID 163345188) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide
PubChem CID163345188
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCC(Oc3nccs3)CC2)c1
InChIInChI=1S/C17H21N3O3S/c1-22-15-4-2-3-13(11-15)19-16(21)12-20-8-5-14(6-9-20)23-17-18-7-10-24-17/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,19,21)
InChIKeyAYBPDRVVKKASMO-UHFFFAOYSA-N
XLogP2.63
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344890
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
N-cyclopentyl-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide
CID 163344746
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 16909601
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(3-methoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167873
N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921880
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
N-(3-methoxyphenyl)-2-[3-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 114499122

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide (CID 163345188) is N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide is COc1cccc(NC(=O)CN2CCC(Oc3nccs3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide?
The InChIKey is AYBPDRVVKKASMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-22-15-4-2-3-13(11-15)19-16(21)12-20-8-5-14(6-9-20)23-17-18-7-10-24-17/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide is sourced from PubChem (CID 163345188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).