2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate

C15H25N3O2S — CID 86778928

IUPAC2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
SMILESCc1ncc(CNC2CCN(C(=O)OCC(C)C)CC2)s1
InChIInChI=1S/C15H25N3O2S/c1-11(2)10-20-15(19)18-6-4-13(5-7-18)17-9-14-8-16-12(3)21-14/h8,11,13,17H,4-7,9-10H2,1-3H3
InChIKeyXXSGFUPVVABKCC-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.80
Rot. Bonds5

About 2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate

2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate (PubChem CID 86778928) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
PubChem CID86778928
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
SMILESCc1ncc(CNC2CCN(C(=O)OCC(C)C)CC2)s1
InChIInChI=1S/C15H25N3O2S/c1-11(2)10-20-15(19)18-6-4-13(5-7-18)17-9-14-8-16-12(3)21-14/h8,11,13,17H,4-7,9-10H2,1-3H3
InChIKeyXXSGFUPVVABKCC-UHFFFAOYSA-N
XLogP2.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 86778919
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
CID 60941990
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate
CID 142773337
1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103243298
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate (CID 86778928) is 2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate is Cc1ncc(CNC2CCN(C(=O)OCC(C)C)CC2)s1.
What is the InChIKey of 2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is XXSGFUPVVABKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)10-20-15(19)18-6-4-13(5-7-18)17-9-14-8-16-12(3)21-14/h8,11,13,17H,4-7,9-10H2,1-3H3.
What are the key properties of 2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate?
2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 86778928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).