2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide

C26H36N4O3S — CID 53103665

IUPAC2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC(C(C)C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C26H36N4O3S/c1-19(24(31)27-11-6-12-29-15-17-33-18-16-29)21-9-13-30(14-10-21)26(32)23-20(2)28-25(34-23)22-7-4-3-5-8-22/h3-5,7-8,19,21H,6,9-18H2,1-2H3,(H,27,31)
InChIKeyIEJBNBRNQXKZSU-UHFFFAOYSA-N
MW484.67 g/mol
LogP3.45
Rot. Bonds8

About 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide

2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 53103665) has the molecular formula C26H36N4O3S and a molecular weight of 484.67 g/mol. Its IUPAC name is 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID53103665
Molecular FormulaC26H36N4O3S
Molecular Weight484.67 g/mol
Exact Mass484.25
IUPAC Name2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC(C(C)C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C26H36N4O3S/c1-19(24(31)27-11-6-12-29-15-17-33-18-16-29)21-9-13-30(14-10-21)26(32)23-20(2)28-25(34-23)22-7-4-3-5-8-22/h3-5,7-8,19,21H,6,9-18H2,1-2H3,(H,27,31)
InChIKeyIEJBNBRNQXKZSU-UHFFFAOYSA-N
XLogP3.45
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95084270
(2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95084149
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95084428
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 53103646
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95084446
(2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 95084230
(2S)-N-benzyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95084067
N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 53103661
N-[2-(dimethylamino)ethyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 53103611
(2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 95113552
(2S)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[2-(furan-2-yl)ethyl]propanamide
CID 95084468
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 95084460

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 53103665) is 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide is Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(C(C)C(=O)NCCCN2CCOCC2)CC1.
What is the InChIKey of 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is IEJBNBRNQXKZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3S/c1-19(24(31)27-11-6-12-29-15-17-33-18-16-29)21-9-13-30(14-10-21)26(32)23-20(2)28-25(34-23)22-7-4-3-5-8-22/h3-5,7-8,19,21H,6,9-18H2,1-2H3,(H,27,31).
What are the key properties of 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 484.67 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 53103665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).