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

C18H23N3OS — CID 86274331

IUPACN-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1ncc(CN2CCC(c3ccccc3)CC2)s1
InChIInChI=1S/C18H23N3OS/c1-2-17(22)20-18-19-12-16(23-18)13-21-10-8-15(9-11-21)14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H,19,20,22)
InChIKeyYQZLIJJLQMHPLB-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.87
Rot. Bonds5

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

N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 86274331) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID86274331
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1ncc(CN2CCC(c3ccccc3)CC2)s1
InChIInChI=1S/C18H23N3OS/c1-2-17(22)20-18-19-12-16(23-18)13-21-10-8-15(9-11-21)14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H,19,20,22)
InChIKeyYQZLIJJLQMHPLB-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.87
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]propanamide?
The IUPAC name of N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide (CID 86274331) is N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1ncc(CN2CCC(c3ccccc3)CC2)s1.
What is the InChIKey of N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is YQZLIJJLQMHPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-2-17(22)20-18-19-12-16(23-18)13-21-10-8-15(9-11-21)14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H,19,20,22).
What are the key properties of N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 3.87, 5 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]propanamide is sourced from PubChem (CID 86274331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).