3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide

C19H25N3O2S — CID 56884337

IUPAC3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
SMILESCOc1ccccc1-c1ncc(CN2CCCC(CCC(N)=O)C2)s1
InChIInChI=1S/C19H25N3O2S/c1-24-17-7-3-2-6-16(17)19-21-11-15(25-19)13-22-10-4-5-14(12-22)8-9-18(20)23/h2-3,6-7,11,14H,4-5,8-10,12-13H2,1H3,(H2,20,23)
InChIKeyHGMZFDOCJRNHQX-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.30
Rot. Bonds7

About 3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide

3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide (PubChem CID 56884337) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
PubChem CID56884337
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
SMILESCOc1ccccc1-c1ncc(CN2CCCC(CCC(N)=O)C2)s1
InChIInChI=1S/C19H25N3O2S/c1-24-17-7-3-2-6-16(17)19-21-11-15(25-19)13-22-10-4-5-14(12-22)8-9-18(20)23/h2-3,6-7,11,14H,4-5,8-10,12-13H2,1H3,(H2,20,23)
InChIKeyHGMZFDOCJRNHQX-UHFFFAOYSA-N
XLogP3.30
TPSA68.45 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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide (CID 56884337) is 3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide is COc1ccccc1-c1ncc(CN2CCCC(CCC(N)=O)C2)s1.
What is the InChIKey of 3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
The InChIKey is HGMZFDOCJRNHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-24-17-7-3-2-6-16(17)19-21-11-15(25-19)13-22-10-4-5-14(12-22)8-9-18(20)23/h2-3,6-7,11,14H,4-5,8-10,12-13H2,1H3,(H2,20,23).
What are the key properties of 3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide has a molecular weight of 359.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 56884337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).