N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide

C16H19N3OS — CID 63235597

IUPACN-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)c1cscn1
InChIInChI=1S/C16H19N3OS/c20-16(15-11-21-12-17-15)18-14-7-4-8-19(10-14)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,18,20)
InChIKeyYJZWIBLZOOLGMM-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.54
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide

N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 63235597) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID63235597
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)c1cscn1
InChIInChI=1S/C16H19N3OS/c20-16(15-11-21-12-17-15)18-14-7-4-8-19(10-14)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,18,20)
InChIKeyYJZWIBLZOOLGMM-UHFFFAOYSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide
CID 134803744
N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855967
2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide
CID 113239287
N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55655382
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 95981601

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide (CID 63235597) is N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCCN(Cc2ccccc2)C1)c1cscn1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YJZWIBLZOOLGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(15-11-21-12-17-15)18-14-7-4-8-19(10-14)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,18,20).
What are the key properties of N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63235597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).