N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide

C17H21N3OS — CID 110679526

IUPACN-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1cscn1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H21N3OS/c21-17(9-6-15-12-22-13-18-15)19-14-4-7-16(8-5-14)20-10-2-1-3-11-20/h4-5,7-8,12-13H,1-3,6,9-11H2,(H,19,21)
InChIKeyYVNQNFYQOBNOHR-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.70
Rot. Bonds5

About N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide

N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 110679526) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide
PubChem CID110679526
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1cscn1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H21N3OS/c21-17(9-6-15-12-22-13-18-15)19-14-4-7-16(8-5-14)20-10-2-1-3-11-20/h4-5,7-8,12-13H,1-3,6,9-11H2,(H,19,21)
InChIKeyYVNQNFYQOBNOHR-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679486
3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110329830
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110388522
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
N-(4-piperidin-1-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55536464
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 75370015
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
5-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 79199227
3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 46521495

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide (CID 110679526) is N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide is O=C(CCc1cscn1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is YVNQNFYQOBNOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-17(9-6-15-12-22-13-18-15)19-14-4-7-16(8-5-14)20-10-2-1-3-11-20/h4-5,7-8,12-13H,1-3,6,9-11H2,(H,19,21).
What are the key properties of N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 315.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110679526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).