4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine

C19H35N5O2 — CID 163157810

IUPAC4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
SMILESC1CC(C2NC(C3CCNC(N4CCOCC4)C3)NO2)N(CC2CC2)C1
InChIInChI=1S/C19H35N5O2/c1-2-16(24(7-1)13-14-3-4-14)19-21-18(22-26-19)15-5-6-20-17(12-15)23-8-10-25-11-9-23/h14-22H,1-13H2
InChIKeyZKZUTZPJYKXJDW-UHFFFAOYSA-N
MW365.52 g/mol
LogP0.30
Rot. Bonds5

About 4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine

4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine (PubChem CID 163157810) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
PubChem CID163157810
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC Name4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
SMILESC1CC(C2NC(C3CCNC(N4CCOCC4)C3)NO2)N(CC2CC2)C1
InChIInChI=1S/C19H35N5O2/c1-2-16(24(7-1)13-14-3-4-14)19-21-18(22-26-19)15-5-6-20-17(12-15)23-8-10-25-11-9-23/h14-22H,1-13H2
InChIKeyZKZUTZPJYKXJDW-UHFFFAOYSA-N
XLogP0.30
TPSA61.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The IUPAC name of 4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine (CID 163157810) is 4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine is C1CC(C2NC(C3CCNC(N4CCOCC4)C3)NO2)N(CC2CC2)C1.
What is the InChIKey of 4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The InChIKey is ZKZUTZPJYKXJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2/c1-2-16(24(7-1)13-14-3-4-14)19-21-18(22-26-19)15-5-6-20-17(12-15)23-8-10-25-11-9-23/h14-22H,1-13H2.
What are the key properties of 4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine has a molecular weight of 365.52 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine is sourced from PubChem (CID 163157810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).