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

C25H34N4O3S — CID 53103646

IUPAC2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C25H34N4O3S/c1-19-23(33-24(27-19)21-6-3-2-4-7-21)25(31)29-12-8-20(9-13-29)18-22(30)26-10-5-11-28-14-16-32-17-15-28/h2-4,6-7,20H,5,8-18H2,1H3,(H,26,30)
InChIKeyHMXUZIKSTHOIBM-UHFFFAOYSA-N
MW470.64 g/mol
LogP3.20
Rot. Bonds8

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

2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 53103646) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 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)acetamide.

Molecular Properties

Compound Name2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID53103646
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC Name2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C25H34N4O3S/c1-19-23(33-24(27-19)21-6-3-2-4-7-21)25(31)29-12-8-20(9-13-29)18-22(30)26-10-5-11-28-14-16-32-17-15-28/h2-4,6-7,20H,5,8-18H2,1H3,(H,26,30)
InChIKeyHMXUZIKSTHOIBM-UHFFFAOYSA-N
XLogP3.20
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 53.20
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

N-butyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53035385
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53103700
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 53103665
(2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95084270
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide
CID 53035394
N-(3-morpholin-4-ylpropyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103378
(2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95084149
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 53031115
(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-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 93061141
2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53010074

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)acetamide?
The IUPAC name of 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 53103646) is 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
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)acetamide?
The canonical SMILES for 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=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)acetamide?
The InChIKey is HMXUZIKSTHOIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-19-23(33-24(27-19)21-6-3-2-4-7-21)25(31)29-12-8-20(9-13-29)18-22(30)26-10-5-11-28-14-16-32-17-15-28/h2-4,6-7,20H,5,8-18H2,1H3,(H,26,30).
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)acetamide?
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 470.64 g/mol, XLogP of 3.20, 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)acetamide is sourced from PubChem (CID 53103646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).