1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C21H27N3O3S — CID 55660589

IUPAC1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C21H27N3O3S/c1-21(2,3)19(26)24-11-9-14(10-12-24)18(25)23-20-22-16(13-28-20)15-7-5-6-8-17(15)27-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,23,25)
InChIKeyFNXBUIXTDODBTJ-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.04
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 55660589) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID55660589
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C21H27N3O3S/c1-21(2,3)19(26)24-11-9-14(10-12-24)18(25)23-20-22-16(13-28-20)15-7-5-6-8-17(15)27-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,23,25)
InChIKeyFNXBUIXTDODBTJ-UHFFFAOYSA-N
XLogP4.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55660730
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46667929
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895483
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 32868205
3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119713315
1-(2,2-dimethylpropanoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 51284534
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409422
1-(2,2-dimethylpropanoyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17224509
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 86986741
2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19226274
N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 19712145

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 55660589) is 1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is COc1ccccc1-c1csc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is FNXBUIXTDODBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-21(2,3)19(26)24-11-9-14(10-12-24)18(25)23-20-22-16(13-28-20)15-7-5-6-8-17(15)27-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,23,25).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55660589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).