4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine

C25H46N6O2 — CID 163164393

IUPAC4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
SMILESC1CCC2NCC(CN3CCC[C@H]3C3NC(C4CCC(N5CCOCC5)NC4)NO3)CC2C1
InChIInChI=1S/C25H46N6O2/c1-2-5-21-19(4-1)14-18(15-26-21)17-31-9-3-6-22(31)25-28-24(29-33-25)20-7-8-23(27-16-20)30-10-12-32-13-11-30/h18-29H,1-17H2/t18?,19?,20?,21?,22-,23?,24?,25?/m0/s1
InChIKeyKYRLSDOXSPMSCA-PNOLBAQSSA-N
MW462.68 g/mol
LogP1.05
Rot. Bonds5

About 4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine

4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine (PubChem CID 163164393) has the molecular formula C25H46N6O2 and a molecular weight of 462.68 g/mol. Its IUPAC name is 4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
PubChem CID163164393
Molecular FormulaC25H46N6O2
Molecular Weight462.68 g/mol
Exact Mass462.37
IUPAC Name4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
SMILESC1CCC2NCC(CN3CCC[C@H]3C3NC(C4CCC(N5CCOCC5)NC4)NO3)CC2C1
InChIInChI=1S/C25H46N6O2/c1-2-5-21-19(4-1)14-18(15-26-21)17-31-9-3-6-22(31)25-28-24(29-33-25)20-7-8-23(27-16-20)30-10-12-32-13-11-30/h18-29H,1-17H2/t18?,19?,20?,21?,22-,23?,24?,25?/m0/s1
InChIKeyKYRLSDOXSPMSCA-PNOLBAQSSA-N
XLogP1.05
TPSA73.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.68
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The IUPAC name of 4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine (CID 163164393) is 4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine is C1CCC2NCC(CN3CCC[C@H]3C3NC(C4CCC(N5CCOCC5)NC4)NO3)CC2C1.
What is the InChIKey of 4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The InChIKey is KYRLSDOXSPMSCA-PNOLBAQSSA-N. The full InChI is InChI=1S/C25H46N6O2/c1-2-5-21-19(4-1)14-18(15-26-21)17-31-9-3-6-22(31)25-28-24(29-33-25)20-7-8-23(27-16-20)30-10-12-32-13-11-30/h18-29H,1-17H2/t18?,19?,20?,21?,22-,23?,24?,25?/m0/s1.
What are the key properties of 4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine has a molecular weight of 462.68 g/mol, XLogP of 1.05, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine is sourced from PubChem (CID 163164393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).