1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C20H25N3O3S — CID 39700740

IUPAC1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(SCC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C20H25N3O3S/c1-13-4-5-14(2)17(10-13)27-12-19(24)23-8-6-16(7-9-23)20(25)21-18-11-15(3)26-22-18/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,21,22,25)
InChIKeyZKVDQTXMFDUSCY-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.57
Rot. Bonds5

About 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 39700740) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID39700740
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(SCC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C20H25N3O3S/c1-13-4-5-14(2)17(10-13)27-12-19(24)23-8-6-16(7-9-23)20(25)21-18-11-15(3)26-22-18/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,21,22,25)
InChIKeyZKVDQTXMFDUSCY-UHFFFAOYSA-N
XLogP3.57
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 39702422
1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,5-dimethylphenyl)sulfanylethanone
CID 119624562
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
1-[3-(furan-2-carbonylamino)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39701754
1-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid
CID 119349491
1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55637893
1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 134026755
1-[3-(2-methoxyphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55526497
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 39700752

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 39700740) is 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1ccc(C)c(SCC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is ZKVDQTXMFDUSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13-4-5-14(2)17(10-13)27-12-19(24)23-8-6-16(7-9-23)20(25)21-18-11-15(3)26-22-18/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,21,22,25).
What are the key properties of 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 39700740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).