N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine

C20H40N6O2 — CID 163118309

IUPACN-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine
SMILESCOCCNC1CC(C2NOC(C3CCCN3CC3CCNCC3)N2)CCN1
InChIInChI=1S/C20H40N6O2/c1-27-12-10-23-18-13-16(6-9-22-18)19-24-20(28-25-19)17-3-2-11-26(17)14-15-4-7-21-8-5-15/h15-25H,2-14H2,1H3
InChIKeyQDZPEFHKONZVFZ-UHFFFAOYSA-N
MW396.58 g/mol
LogP-0.21
Rot. Bonds8

About N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine

N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine (PubChem CID 163118309) has the molecular formula C20H40N6O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine
PubChem CID163118309
Molecular FormulaC20H40N6O2
Molecular Weight396.58 g/mol
Exact Mass396.32
IUPAC NameN-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine
SMILESCOCCNC1CC(C2NOC(C3CCCN3CC3CCNCC3)N2)CCN1
InChIInChI=1S/C20H40N6O2/c1-27-12-10-23-18-13-16(6-9-22-18)19-24-20(28-25-19)17-3-2-11-26(17)14-15-4-7-21-8-5-15/h15-25H,2-14H2,1H3
InChIKeyQDZPEFHKONZVFZ-UHFFFAOYSA-N
XLogP-0.21
TPSA81.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 5-0.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine (CID 163118309) is N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine is COCCNC1CC(C2NOC(C3CCCN3CC3CCNCC3)N2)CCN1.
What is the InChIKey of N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine?
The InChIKey is QDZPEFHKONZVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N6O2/c1-27-12-10-23-18-13-16(6-9-22-18)19-24-20(28-25-19)17-3-2-11-26(17)14-15-4-7-21-8-5-15/h15-25H,2-14H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine?
N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine has a molecular weight of 396.58 g/mol, XLogP of -0.21, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine is sourced from PubChem (CID 163118309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).