(2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one

C19H25FN4O3 — CID 67531041

IUPAC(2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1nnc(-c2cc(F)ccc2OC2CCN(C(=O)[C@@H](N)C(C)C)CC2)o1
InChIInChI=1S/C19H25FN4O3/c1-11(2)17(21)19(25)24-8-6-14(7-9-24)27-16-5-4-13(20)10-15(16)18-23-22-12(3)26-18/h4-5,10-11,14,17H,6-9,21H2,1-3H3/t17-/m0/s1
InChIKeyMDZRUJCCJYXDSY-KRWDZBQOSA-N
MW376.43 g/mol
LogP2.54
Rot. Bonds5

About (2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one

(2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 67531041) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one
PubChem CID67531041
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name(2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1nnc(-c2cc(F)ccc2OC2CCN(C(=O)[C@@H](N)C(C)C)CC2)o1
InChIInChI=1S/C19H25FN4O3/c1-11(2)17(21)19(25)24-8-6-14(7-9-24)27-16-5-4-13(20)10-15(16)18-23-22-12(3)26-18/h4-5,10-11,14,17H,6-9,21H2,1-3H3/t17-/m0/s1
InChIKeyMDZRUJCCJYXDSY-KRWDZBQOSA-N
XLogP2.54
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one (CID 67531041) is (2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one is Cc1nnc(-c2cc(F)ccc2OC2CCN(C(=O)[C@@H](N)C(C)C)CC2)o1.
What is the InChIKey of (2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is MDZRUJCCJYXDSY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-11(2)17(21)19(25)24-8-6-14(7-9-24)27-16-5-4-13(20)10-15(16)18-23-22-12(3)26-18/h4-5,10-11,14,17H,6-9,21H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one?
(2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 376.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 67531041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).