N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide

C18H21N3O2S — CID 24817156

IUPACN-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)c2cncs2)CC1)Nc1ccccc1
InChIInChI=1S/C18H21N3O2S/c22-17(20-15-4-2-1-3-5-15)7-6-14-8-10-21(11-9-14)18(23)16-12-19-13-24-16/h1-5,12-14H,6-11H2,(H,20,22)
InChIKeyHQTWMDVGWNEUJT-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.41
Rot. Bonds5

About N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide

N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 24817156) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID24817156
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)c2cncs2)CC1)Nc1ccccc1
InChIInChI=1S/C18H21N3O2S/c22-17(20-15-4-2-1-3-5-15)7-6-14-8-10-21(11-9-14)18(23)16-12-19-13-24-16/h1-5,12-14H,6-11H2,(H,20,22)
InChIKeyHQTWMDVGWNEUJT-UHFFFAOYSA-N
XLogP3.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.41
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-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide (CID 24817156) is N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide is O=C(CCC1CCN(C(=O)c2cncs2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is HQTWMDVGWNEUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(20-15-4-2-1-3-5-15)7-6-14-8-10-21(11-9-14)18(23)16-12-19-13-24-16/h1-5,12-14H,6-11H2,(H,20,22).
What are the key properties of N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 343.45 g/mol, XLogP of 3.41, 5 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-thiazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 24817156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).