2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine

C20H38N6O — CID 141062724

IUPAC2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
SMILESC1CCN(C2(N3CCCC3)C(N3CCC3)OCCN2N2CCNCC2)CC1
InChIInChI=1S/C20H38N6O/c1-2-11-23(12-3-1)20(24-13-4-5-14-24)19(22-9-6-10-22)27-18-17-26(20)25-15-7-21-8-16-25/h19,21H,1-18H2
InChIKeyJHPKZRJZAYNCNP-UHFFFAOYSA-N
MW378.57 g/mol
LogP0.41
Rot. Bonds4

About 2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine

2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine (PubChem CID 141062724) has the molecular formula C20H38N6O and a molecular weight of 378.57 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
PubChem CID141062724
Molecular FormulaC20H38N6O
Molecular Weight378.57 g/mol
Exact Mass378.31
IUPAC Name2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
SMILESC1CCN(C2(N3CCCC3)C(N3CCC3)OCCN2N2CCNCC2)CC1
InChIInChI=1S/C20H38N6O/c1-2-11-23(12-3-1)20(24-13-4-5-14-24)19(22-9-6-10-22)27-18-17-26(20)25-15-7-21-8-16-25/h19,21H,1-18H2
InChIKeyJHPKZRJZAYNCNP-UHFFFAOYSA-N
XLogP0.41
TPSA37.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.57
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine?
The IUPAC name of 2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine (CID 141062724) is 2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine.
What is the SMILES notation for 2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine?
The canonical SMILES for 2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine is C1CCN(C2(N3CCCC3)C(N3CCC3)OCCN2N2CCNCC2)CC1.
What is the InChIKey of 2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine?
The InChIKey is JHPKZRJZAYNCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N6O/c1-2-11-23(12-3-1)20(24-13-4-5-14-24)19(22-9-6-10-22)27-18-17-26(20)25-15-7-21-8-16-25/h19,21H,1-18H2.
What are the key properties of 2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine?
2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine has a molecular weight of 378.57 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine is sourced from PubChem (CID 141062724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).