[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone

C17H21N3OS — CID 124690212

IUPAC[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CC[C@@H](N)C[C@H]3C)c2)cs1
InChIInChI=1S/C17H21N3OS/c1-11-8-15(18)6-7-20(11)17(21)14-5-3-4-13(9-14)16-10-22-12(2)19-16/h3-5,9-11,15H,6-8,18H2,1-2H3/t11-,15-/m1/s1
InChIKeyFCJDURBDYBHKMR-IAQYHMDHSA-N
MW315.44 g/mol
LogP3.07
Rot. Bonds2

About [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone

[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone (PubChem CID 124690212) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
PubChem CID124690212
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CC[C@@H](N)C[C@H]3C)c2)cs1
InChIInChI=1S/C17H21N3OS/c1-11-8-15(18)6-7-20(11)17(21)14-5-3-4-13(9-14)16-10-22-12(2)19-16/h3-5,9-11,15H,6-8,18H2,1-2H3/t11-,15-/m1/s1
InChIKeyFCJDURBDYBHKMR-IAQYHMDHSA-N
XLogP3.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The IUPAC name of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone (CID 124690212) is [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The canonical SMILES for [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone is Cc1nc(-c2cccc(C(=O)N3CC[C@@H](N)C[C@H]3C)c2)cs1.
What is the InChIKey of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The InChIKey is FCJDURBDYBHKMR-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-11-8-15(18)6-7-20(11)17(21)14-5-3-4-13(9-14)16-10-22-12(2)19-16/h3-5,9-11,15H,6-8,18H2,1-2H3/t11-,15-/m1/s1.
What are the key properties of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone has a molecular weight of 315.44 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone is sourced from PubChem (CID 124690212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).