methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride

C15H26ClN3O2S — CID 139226549

IUPACmethyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CCc1ncc(N2CCC(N)CC2)s1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-15(2,14(19)20-3)7-4-12-17-10-13(21-12)18-8-5-11(16)6-9-18;/h10-11H,4-9,16H2,1-3H3;1H
InChIKeyWIAMFBDTTDDBMS-UHFFFAOYSA-N
MW347.91 g/mol
LogP2.62
Rot. Bonds5

About methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride

methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride (PubChem CID 139226549) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride
PubChem CID139226549
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC Namemethyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CCc1ncc(N2CCC(N)CC2)s1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-15(2,14(19)20-3)7-4-12-17-10-13(21-12)18-8-5-11(16)6-9-18;/h10-11H,4-9,16H2,1-3H3;1H
InChIKeyWIAMFBDTTDDBMS-UHFFFAOYSA-N
XLogP2.62
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride?
The IUPAC name of methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride (CID 139226549) is methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride.
What is the SMILES notation for methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride?
The canonical SMILES for methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride is COC(=O)C(C)(C)CCc1ncc(N2CCC(N)CC2)s1.Cl.
What is the InChIKey of methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride?
The InChIKey is WIAMFBDTTDDBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.ClH/c1-15(2,14(19)20-3)7-4-12-17-10-13(21-12)18-8-5-11(16)6-9-18;/h10-11H,4-9,16H2,1-3H3;1H.
What are the key properties of methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride?
methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride is sourced from PubChem (CID 139226549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).