2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide

C17H29N3OS — CID 72919535

IUPAC2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCCc1nc(C)c(CNC(=O)CC2CCN(CC)CC2)s1
InChIInChI=1S/C17H29N3OS/c1-4-6-17-19-13(3)15(22-17)12-18-16(21)11-14-7-9-20(5-2)10-8-14/h14H,4-12H2,1-3H3,(H,18,21)
InChIKeyLEHBDZRPMZUEMF-UHFFFAOYSA-N
MW323.51 g/mol
LogP3.14
Rot. Bonds7

About 2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide

2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 72919535) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID72919535
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCCc1nc(C)c(CNC(=O)CC2CCN(CC)CC2)s1
InChIInChI=1S/C17H29N3OS/c1-4-6-17-19-13(3)15(22-17)12-18-16(21)11-14-7-9-20(5-2)10-8-14/h14H,4-12H2,1-3H3,(H,18,21)
InChIKeyLEHBDZRPMZUEMF-UHFFFAOYSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide (CID 72919535) is 2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide is CCCc1nc(C)c(CNC(=O)CC2CCN(CC)CC2)s1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is LEHBDZRPMZUEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-4-6-17-19-13(3)15(22-17)12-18-16(21)11-14-7-9-20(5-2)10-8-14/h14H,4-12H2,1-3H3,(H,18,21).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 323.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 72919535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).