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

C17H21N3OS — CID 778225

IUPACN-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3ccccc3)CC2)s1
InChIInChI=1S/C17H21N3OS/c1-13(21)19-17-18-11-16(22-17)12-20-9-7-15(8-10-20)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21)
InChIKeyZTUPUNKLDDKVAZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.48
Rot. Bonds4

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

N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 778225) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID778225
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3ccccc3)CC2)s1
InChIInChI=1S/C17H21N3OS/c1-13(21)19-17-18-11-16(22-17)12-20-9-7-15(8-10-20)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21)
InChIKeyZTUPUNKLDDKVAZ-UHFFFAOYSA-N
XLogP3.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 778225) is N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(c3ccccc3)CC2)s1.
What is the InChIKey of N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZTUPUNKLDDKVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13(21)19-17-18-11-16(22-17)12-20-9-7-15(8-10-20)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21).
What are the key properties of N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 778225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).