N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

C26H37N5O2S — CID 117089997

IUPACN-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)C1
InChIInChI=1S/C26H37N5O2S/c1-3-30(4-2)25(33)21-11-8-14-31(19-21)26-27-17-23(34-26)24(32)28-22-12-15-29(16-13-22)18-20-9-6-5-7-10-20/h5-7,9-10,17,21-22H,3-4,8,11-16,18-19H2,1-2H3,(H,28,32)
InChIKeyRWCPEUUYWQWIQL-UHFFFAOYSA-N
MW483.68 g/mol
LogP3.62
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 117089997) has the molecular formula C26H37N5O2S and a molecular weight of 483.68 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID117089997
Molecular FormulaC26H37N5O2S
Molecular Weight483.68 g/mol
Exact Mass483.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)C1
InChIInChI=1S/C26H37N5O2S/c1-3-30(4-2)25(33)21-11-8-14-31(19-21)26-27-17-23(34-26)24(32)28-22-12-15-29(16-13-22)18-20-9-6-5-7-10-20/h5-7,9-10,17,21-22H,3-4,8,11-16,18-19H2,1-2H3,(H,28,32)
InChIKeyRWCPEUUYWQWIQL-UHFFFAOYSA-N
XLogP3.62
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-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

N-(1-benzylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 117088638
1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide
CID 117090657
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 117088724
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117088651
N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide
CID 117083185
2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11631108
N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883827
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590
N-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 3873283
N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 117085648
N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117088957
(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 117089997) is N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)C1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is RWCPEUUYWQWIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O2S/c1-3-30(4-2)25(33)21-11-8-14-31(19-21)26-27-17-23(34-26)24(32)28-22-12-15-29(16-13-22)18-20-9-6-5-7-10-20/h5-7,9-10,17,21-22H,3-4,8,11-16,18-19H2,1-2H3,(H,28,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 483.68 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117089997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).