(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine

C21H31N5O2 — CID 129252304

IUPAC(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@H]1CN(c2nc(C)ccc2-c2noc(C)n2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C21H31N5O2/c1-14-9-10-17(20-23-15(2)28-25-20)21(22-14)26-12-11-18(19(13-26)27-3)24-16-7-5-4-6-8-16/h9-10,16,18-19,24H,4-8,11-13H2,1-3H3/t18-,19+/m1/s1
InChIKeyIIXTYVMZKJGAFV-MOPGFXCFSA-N
MW385.51 g/mol
LogP3.26
Rot. Bonds5

About (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine

(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine (PubChem CID 129252304) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine
PubChem CID129252304
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@H]1CN(c2nc(C)ccc2-c2noc(C)n2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C21H31N5O2/c1-14-9-10-17(20-23-15(2)28-25-20)21(22-14)26-12-11-18(19(13-26)27-3)24-16-7-5-4-6-8-16/h9-10,16,18-19,24H,4-8,11-13H2,1-3H3/t18-,19+/m1/s1
InChIKeyIIXTYVMZKJGAFV-MOPGFXCFSA-N
XLogP3.26
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine (CID 129252304) is (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine is CO[C@H]1CN(c2nc(C)ccc2-c2noc(C)n2)CC[C@H]1NC1CCCCC1.
What is the InChIKey of (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is IIXTYVMZKJGAFV-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-14-9-10-17(20-23-15(2)28-25-20)21(22-14)26-12-11-18(19(13-26)27-3)24-16-7-5-4-6-8-16/h9-10,16,18-19,24H,4-8,11-13H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine?
(3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 385.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-cyclohexyl-3-methoxy-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 129252304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).