1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone

C20H26N2O2S — CID 110374604

IUPAC1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(C)c(CC(=O)N2CCC(Cc3ccccc3)CC2)s1
InChIInChI=1S/C20H26N2O2S/c1-15-18(25-19(21-15)14-24-2)13-20(23)22-10-8-17(9-11-22)12-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3
InChIKeyXOSOPBBTCLVMRF-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.62
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone

1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 110374604) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID110374604
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(C)c(CC(=O)N2CCC(Cc3ccccc3)CC2)s1
InChIInChI=1S/C20H26N2O2S/c1-15-18(25-19(21-15)14-24-2)13-20(23)22-10-8-17(9-11-22)12-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3
InChIKeyXOSOPBBTCLVMRF-UHFFFAOYSA-N
XLogP3.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-benzylpiperidin-1-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone
CID 110386760
2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
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1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
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1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
1-(4-benzylpiperidin-1-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
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2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone
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1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 110374604) is 1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone is COCc1nc(C)c(CC(=O)N2CCC(Cc3ccccc3)CC2)s1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is XOSOPBBTCLVMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-18(25-19(21-15)14-24-2)13-20(23)22-10-8-17(9-11-22)12-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 358.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 110374604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).