(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol

C22H31N5O2 — CID 118264136

IUPAC(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol
SMILESCc1noc(-c2cc3c(nc2N2CC[C@@H](NC4CCCCC4)[C@H](O)C2)CCC3)n1
InChIInChI=1S/C22H31N5O2/c1-14-23-22(29-26-14)17-12-15-6-5-9-18(15)25-21(17)27-11-10-19(20(28)13-27)24-16-7-3-2-4-8-16/h12,16,19-20,24,28H,2-11,13H2,1H3/t19-,20-/m1/s1
InChIKeyFKRNBNXZLYNSHB-WOJBJXKFSA-N
MW397.52 g/mol
LogP2.79
Rot. Bonds4

About (3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol

(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol (PubChem CID 118264136) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is (3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol
PubChem CID118264136
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol
SMILESCc1noc(-c2cc3c(nc2N2CC[C@@H](NC4CCCCC4)[C@H](O)C2)CCC3)n1
InChIInChI=1S/C22H31N5O2/c1-14-23-22(29-26-14)17-12-15-6-5-9-18(15)25-21(17)27-11-10-19(20(28)13-27)24-16-7-3-2-4-8-16/h12,16,19-20,24,28H,2-11,13H2,1H3/t19-,20-/m1/s1
InChIKeyFKRNBNXZLYNSHB-WOJBJXKFSA-N
XLogP2.79
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol (CID 118264136) is (3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol is Cc1noc(-c2cc3c(nc2N2CC[C@@H](NC4CCCCC4)[C@H](O)C2)CCC3)n1.
What is the InChIKey of (3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol?
The InChIKey is FKRNBNXZLYNSHB-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-14-23-22(29-26-14)17-12-15-6-5-9-18(15)25-21(17)27-11-10-19(20(28)13-27)24-16-7-3-2-4-8-16/h12,16,19-20,24,28H,2-11,13H2,1H3/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol?
(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol has a molecular weight of 397.52 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol is sourced from PubChem (CID 118264136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).