1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C21H28N4O2S — CID 163368422

IUPAC1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccc(C(C)C)cc3)C2)s1
InChIInChI=1S/C21H28N4O2S/c1-14(2)16-6-8-18(9-7-16)24-20(27)17-5-4-10-25(12-17)13-19-11-22-21(28-19)23-15(3)26/h6-9,11,14,17H,4-5,10,12-13H2,1-3H3,(H,24,27)(H,22,23,26)
InChIKeyIUHJOPVHRDFSQM-UHFFFAOYSA-N
MW400.55 g/mol
LogP4.08
Rot. Bonds6

About 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 163368422) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID163368422
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccc(C(C)C)cc3)C2)s1
InChIInChI=1S/C21H28N4O2S/c1-14(2)16-6-8-18(9-7-16)24-20(27)17-5-4-10-25(12-17)13-19-11-22-21(28-19)23-15(3)26/h6-9,11,14,17H,4-5,10,12-13H2,1-3H3,(H,24,27)(H,22,23,26)
InChIKeyIUHJOPVHRDFSQM-UHFFFAOYSA-N
XLogP4.08
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pha-690509
CID 9902100
2-(pyridin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911293
1-Methyl-N-(5-phenylthiazol-2-yl)piperidine-4-carboxamide
CID 131953480
N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 778225
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 577307
4-butyrylamino-N-thiazol-2-ylbenzamide
CID 883547
4-(3-methylbutyrylamino)-N-thiazol-2-ylbenzamide
CID 3463042
2-(4-acetamidophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 9923630
4-(2-Cyclopentyl-acetylamino)-n-thiazol-2-yl-benzamide
CID 11290412
4-(3,3-dimethylbutyrylamino)-N-(5-methylthiazol-2-yl)benzamide
CID 11313542
4-(3,3-dimethylbutyrylamino)-N-thiazol-2-yl-benzamide
CID 11771503

Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 163368422) is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is CC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccc(C(C)C)cc3)C2)s1.
What is the InChIKey of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is IUHJOPVHRDFSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-14(2)16-6-8-18(9-7-16)24-20(27)17-5-4-10-25(12-17)13-19-11-22-21(28-19)23-15(3)26/h6-9,11,14,17H,4-5,10,12-13H2,1-3H3,(H,24,27)(H,22,23,26).
What are the key properties of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 163368422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).