(3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid

C19H31N3O3 — CID 69432186

IUPAC(3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESO=C(O)C[C@@H](CCCC1CCCCC1)c1nc(N2CCCCC2)no1
InChIInChI=1S/C19H31N3O3/c23-17(24)14-16(11-7-10-15-8-3-1-4-9-15)18-20-19(21-25-18)22-12-5-2-6-13-22/h15-16H,1-14H2,(H,23,24)/t16-/m1/s1
InChIKeyGRGIPNTZQCKSBD-MRXNPFEDSA-N
MW349.48 g/mol
LogP4.37
Rot. Bonds8

About (3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid

(3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid (PubChem CID 69432186) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
PubChem CID69432186
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESO=C(O)C[C@@H](CCCC1CCCCC1)c1nc(N2CCCCC2)no1
InChIInChI=1S/C19H31N3O3/c23-17(24)14-16(11-7-10-15-8-3-1-4-9-15)18-20-19(21-25-18)22-12-5-2-6-13-22/h15-16H,1-14H2,(H,23,24)/t16-/m1/s1
InChIKeyGRGIPNTZQCKSBD-MRXNPFEDSA-N
XLogP4.37
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The IUPAC name of (3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid (CID 69432186) is (3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid.
What is the SMILES notation for (3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The canonical SMILES for (3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid is O=C(O)C[C@@H](CCCC1CCCCC1)c1nc(N2CCCCC2)no1.
What is the InChIKey of (3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The InChIKey is GRGIPNTZQCKSBD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N3O3/c23-17(24)14-16(11-7-10-15-8-3-1-4-9-15)18-20-19(21-25-18)22-12-5-2-6-13-22/h15-16H,1-14H2,(H,23,24)/t16-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
(3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid has a molecular weight of 349.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid is sourced from PubChem (CID 69432186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).