2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate

C14H20N2O3S — CID 56975200

IUPAC2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(=O)c2nccs2)CC1
InChIInChI=1S/C14H20N2O3S/c1-10(2)9-19-14(18)16-6-3-11(4-7-16)12(17)13-15-5-8-20-13/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyFLGHGDYROJRXDH-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.83
Rot. Bonds4

About 2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate

2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate (PubChem CID 56975200) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate
PubChem CID56975200
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(=O)c2nccs2)CC1
InChIInChI=1S/C14H20N2O3S/c1-10(2)9-19-14(18)16-6-3-11(4-7-16)12(17)13-15-5-8-20-13/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyFLGHGDYROJRXDH-UHFFFAOYSA-N
XLogP2.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate
CID 69120900
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
CID 16670267
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 95797532
[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 95797520
2-methylpropyl 1-[1-(2-methylpropoxycarbonyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737621
(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 94917653
lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 160674052
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]piperidine-1-carboxylate
CID 155874857
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate (CID 56975200) is 2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(C(=O)c2nccs2)CC1.
What is the InChIKey of 2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate?
The InChIKey is FLGHGDYROJRXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(2)9-19-14(18)16-6-3-11(4-7-16)12(17)13-15-5-8-20-13/h5,8,10-11H,3-4,6-7,9H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate?
2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 56975200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).