(3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol

C19H26BrN5O2 — CID 118263698

IUPAC(3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol
SMILESCc1noc(-c2cc(Br)cnc2N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)n1
InChIInChI=1S/C19H26BrN5O2/c1-12-22-19(27-24-12)15-9-13(20)10-21-18(15)25-8-7-16(17(26)11-25)23-14-5-3-2-4-6-14/h9-10,14,16-17,23,26H,2-8,11H2,1H3/t16-,17-/m1/s1
InChIKeyKUEZBEFYEFTPMZ-IAGOWNOFSA-N
MW436.35 g/mol
LogP3.06
Rot. Bonds4

About (3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol

(3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol (PubChem CID 118263698) has the molecular formula C19H26BrN5O2 and a molecular weight of 436.35 g/mol. Its IUPAC name is (3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol
PubChem CID118263698
Molecular FormulaC19H26BrN5O2
Molecular Weight436.35 g/mol
Exact Mass435.13
IUPAC Name(3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol
SMILESCc1noc(-c2cc(Br)cnc2N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)n1
InChIInChI=1S/C19H26BrN5O2/c1-12-22-19(27-24-12)15-9-13(20)10-21-18(15)25-8-7-16(17(26)11-25)23-14-5-3-2-4-6-14/h9-10,14,16-17,23,26H,2-8,11H2,1H3/t16-,17-/m1/s1
InChIKeyKUEZBEFYEFTPMZ-IAGOWNOFSA-N
XLogP3.06
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol (CID 118263698) is (3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol is Cc1noc(-c2cc(Br)cnc2N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)n1.
What is the InChIKey of (3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol?
The InChIKey is KUEZBEFYEFTPMZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26BrN5O2/c1-12-22-19(27-24-12)15-9-13(20)10-21-18(15)25-8-7-16(17(26)11-25)23-14-5-3-2-4-6-14/h9-10,14,16-17,23,26H,2-8,11H2,1H3/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol?
(3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol has a molecular weight of 436.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-ol is sourced from PubChem (CID 118263698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).