3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine

C17H33N5O — CID 90694084

IUPAC3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
SMILESC1CCN(C2OCCNC2(N2CCCC2)N2CCNCC2)CC1
InChIInChI=1S/C17H33N5O/c1-2-9-20(10-3-1)16-17(19-8-15-23-16,21-11-4-5-12-21)22-13-6-18-7-14-22/h16,18-19H,1-15H2
InChIKeyBKTYFBQSVLNCDB-UHFFFAOYSA-N
MW323.49 g/mol
LogP0.07
Rot. Bonds3

About 3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine

3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine (PubChem CID 90694084) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is 3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine.

Molecular Properties

Compound Name3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
PubChem CID90694084
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC Name3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
SMILESC1CCN(C2OCCNC2(N2CCCC2)N2CCNCC2)CC1
InChIInChI=1S/C17H33N5O/c1-2-9-20(10-3-1)16-17(19-8-15-23-16,21-11-4-5-12-21)22-13-6-18-7-14-22/h16,18-19H,1-15H2
InChIKeyBKTYFBQSVLNCDB-UHFFFAOYSA-N
XLogP0.07
TPSA43.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine?
The IUPAC name of 3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine (CID 90694084) is 3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine.
What is the SMILES notation for 3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine?
The canonical SMILES for 3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine is C1CCN(C2OCCNC2(N2CCCC2)N2CCNCC2)CC1.
What is the InChIKey of 3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine?
The InChIKey is BKTYFBQSVLNCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O/c1-2-9-20(10-3-1)16-17(19-8-15-23-16,21-11-4-5-12-21)22-13-6-18-7-14-22/h16,18-19H,1-15H2.
What are the key properties of 3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine?
3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine has a molecular weight of 323.49 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine is sourced from PubChem (CID 90694084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).