3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide

C27H32N4O2S — CID 46190939

IUPAC3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(C(N)=O)c3)CCCN(Cc3nccs3)C2)cc1
InChIInChI=1S/C27H32N4O2S/c1-3-31(4-2)26(33)20-9-11-22(12-10-20)27(23-8-5-7-21(17-23)25(28)32)13-6-15-30(19-27)18-24-29-14-16-34-24/h5,7-12,14,16-17H,3-4,6,13,15,18-19H2,1-2H3,(H2,28,32)
InChIKeyKUMWGYXMHZMCTE-UHFFFAOYSA-N
MW476.65 g/mol
LogP4.31
Rot. Bonds8

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

3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide (PubChem CID 46190939) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is 3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide
PubChem CID46190939
Molecular FormulaC27H32N4O2S
Molecular Weight476.65 g/mol
Exact Mass476.22
IUPAC Name3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(C(N)=O)c3)CCCN(Cc3nccs3)C2)cc1
InChIInChI=1S/C27H32N4O2S/c1-3-31(4-2)26(33)20-9-11-22(12-10-20)27(23-8-5-7-21(17-23)25(28)32)13-6-15-30(19-27)18-24-29-14-16-34-24/h5,7-12,14,16-17H,3-4,6,13,15,18-19H2,1-2H3,(H2,28,32)
InChIKeyKUMWGYXMHZMCTE-UHFFFAOYSA-N
XLogP4.31
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide 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

N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4,5-dimethylbenzylthio)thiazol-2-yl)-4-((3,3-dimethylbutan-2-ylamino)methyl)benzamide
CID 11527400
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1,3-thiazol-2-yl)naphthalen-2-yl]ethane-1,2-dione
CID 155527683
(2S)-2-[[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 10674399
(4-Phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 15951403
3-Methyl-N-{[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl}benzamide
CID 16094665
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-thiazol-2-ylphenyl)ethane-1,2-dione
CID 24996345
N-[1-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
CID 56924921
N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
CID 56924952
[3,5-Bis(trifluoromethyl)phenyl]-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3234935
N-(5-(((3-(1-acetylpiperazine-4-carbonyl)benzyl)(methyl)amino)methyl)thiazol-2-yl)-4-tert-butylbenzamide
CID 22170437
US10807974, Example 125
CID 130358346
4-((3-Carbamoylphenyl)(1-(thiazol-5-ylmethyl)piperidin-4-ylidene)methyl)-N,N-dimethylbenzamide
CID 121430051

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide?
The IUPAC name of 3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide (CID 46190939) is 3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide?
The canonical SMILES for 3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide is CCN(CC)C(=O)c1ccc(C2(c3cccc(C(N)=O)c3)CCCN(Cc3nccs3)C2)cc1.
What is the InChIKey of 3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide?
The InChIKey is KUMWGYXMHZMCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2S/c1-3-31(4-2)26(33)20-9-11-22(12-10-20)27(23-8-5-7-21(17-23)25(28)32)13-6-15-30(19-27)18-24-29-14-16-34-24/h5,7-12,14,16-17H,3-4,6,13,15,18-19H2,1-2H3,(H2,28,32).
What are the key properties of 3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide?
3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide has a molecular weight of 476.65 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(diethylcarbamoyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 46190939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).