N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide

C18H23N3OS — CID 42460383

IUPACN-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(Cc2nccs2)CC1)Nc1ccccc1
InChIInChI=1S/C18H23N3OS/c22-17(20-16-4-2-1-3-5-16)7-6-15-8-11-21(12-9-15)14-18-19-10-13-23-18/h1-5,10,13,15H,6-9,11-12,14H2,(H,20,22)
InChIKeyWITFPURNHMEWIM-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.77
Rot. Bonds6

About N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide

N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 42460383) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
PubChem CID42460383
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(Cc2nccs2)CC1)Nc1ccccc1
InChIInChI=1S/C18H23N3OS/c22-17(20-16-4-2-1-3-5-16)7-6-15-8-11-21(12-9-15)14-18-19-10-13-23-18/h1-5,10,13,15H,6-9,11-12,14H2,(H,20,22)
InChIKeyWITFPURNHMEWIM-UHFFFAOYSA-N
XLogP3.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide (CID 42460383) is N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide is O=C(CCC1CCN(Cc2nccs2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is WITFPURNHMEWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c22-17(20-16-4-2-1-3-5-16)7-6-15-8-11-21(12-9-15)14-18-19-10-13-23-18/h1-5,10,13,15H,6-9,11-12,14H2,(H,20,22).
What are the key properties of N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42460383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).