4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine

C22H43N7O — CID 54485847

IUPAC4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
SMILESCN1CCNC(N2CCNCC2)(N2CCOCC2)C1(N1CCCCC1)N1CCCC1
InChIInChI=1S/C22H43N7O/c1-25-14-9-24-21(26-15-7-23-8-16-26,27-17-19-30-20-18-27)22(25,29-12-5-6-13-29)28-10-3-2-4-11-28/h23-24H,2-20H2,1H3
InChIKeyIHUFJTSGSZJIHU-UHFFFAOYSA-N
MW421.63 g/mol
LogP-0.35
Rot. Bonds4

About 4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine

4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine (PubChem CID 54485847) has the molecular formula C22H43N7O and a molecular weight of 421.63 g/mol. Its IUPAC name is 4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
PubChem CID54485847
Molecular FormulaC22H43N7O
Molecular Weight421.63 g/mol
Exact Mass421.35
IUPAC Name4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
SMILESCN1CCNC(N2CCNCC2)(N2CCOCC2)C1(N1CCCCC1)N1CCCC1
InChIInChI=1S/C22H43N7O/c1-25-14-9-24-21(26-15-7-23-8-16-26,27-17-19-30-20-18-27)22(25,29-12-5-6-13-29)28-10-3-2-4-11-28/h23-24H,2-20H2,1H3
InChIKeyIHUFJTSGSZJIHU-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.63
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine 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 4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine?
The IUPAC name of 4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine (CID 54485847) is 4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine?
The canonical SMILES for 4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine is CN1CCNC(N2CCNCC2)(N2CCOCC2)C1(N1CCCCC1)N1CCCC1.
What is the InChIKey of 4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine?
The InChIKey is IHUFJTSGSZJIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N7O/c1-25-14-9-24-21(26-15-7-23-8-16-26,27-17-19-30-20-18-27)22(25,29-12-5-6-13-29)28-10-3-2-4-11-28/h23-24H,2-20H2,1H3.
What are the key properties of 4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine?
4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine has a molecular weight of 421.63 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine is sourced from PubChem (CID 54485847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).