N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide

C15H21N3O3S — CID 119039024

IUPACN-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2ncc(C(C)=O)s2)C1
InChIInChI=1S/C15H21N3O3S/c1-3-5-13(20)18-7-4-6-11(9-18)14(21)17-15-16-8-12(22-15)10(2)19/h8,11H,3-7,9H2,1-2H3,(H,16,17,21)
InChIKeyMTWRZVCOXLVPSY-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.32
Rot. Bonds5

About N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide

N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide (PubChem CID 119039024) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide
PubChem CID119039024
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2ncc(C(C)=O)s2)C1
InChIInChI=1S/C15H21N3O3S/c1-3-5-13(20)18-7-4-6-11(9-18)14(21)17-15-16-8-12(22-15)10(2)19/h8,11H,3-7,9H2,1-2H3,(H,16,17,21)
InChIKeyMTWRZVCOXLVPSY-UHFFFAOYSA-N
XLogP2.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-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-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55906892
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 99564667
1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 55910927
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
1-[(5-propyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122088976
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide
CID 78904413
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 55811278
N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide
CID 120568749
1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide
CID 155949004
1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119492016

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide?
The IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide (CID 119039024) is N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)Nc2ncc(C(C)=O)s2)C1.
What is the InChIKey of N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide?
The InChIKey is MTWRZVCOXLVPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-5-13(20)18-7-4-6-11(9-18)14(21)17-15-16-8-12(22-15)10(2)19/h8,11H,3-7,9H2,1-2H3,(H,16,17,21).
What are the key properties of N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide?
N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide is sourced from PubChem (CID 119039024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).