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

C22H43N7O — CID 123334449

IUPAC2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine
SMILESCN1CCN(C2(N3CCCC3)OCCNC2(N2CCCCC2)N2CCNCC2)CC1
InChIInChI=1S/C22H43N7O/c1-25-16-18-29(19-17-25)22(28-12-5-6-13-28)21(24-9-20-30-22,26-10-3-2-4-11-26)27-14-7-23-8-15-27/h23-24H,2-20H2,1H3
InChIKeyIZLUZJYESPCPCC-UHFFFAOYSA-N
MW421.63 g/mol
LogP-0.35
Rot. Bonds4

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

2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine (PubChem CID 123334449) has the molecular formula C22H43N7O and a molecular weight of 421.63 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine
PubChem CID123334449
Molecular FormulaC22H43N7O
Molecular Weight421.63 g/mol
Exact Mass421.35
IUPAC Name2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine
SMILESCN1CCN(C2(N3CCCC3)OCCNC2(N2CCCCC2)N2CCNCC2)CC1
InChIInChI=1S/C22H43N7O/c1-25-16-18-29(19-17-25)22(28-12-5-6-13-28)21(24-9-20-30-22,26-10-3-2-4-11-26)27-14-7-23-8-15-27/h23-24H,2-20H2,1H3
InChIKeyIZLUZJYESPCPCC-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 2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine with MolForge

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Related Compounds

4-(3-Piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 53663701
4-(4-Methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 54485847
4-[6-(4-Butan-2-ylpiperazin-1-yl)-4-butyl-5-(4-ethylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-3-piperidin-1-yl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyrrolidin-1-ylpiperazin-2-yl]morpholine
CID 54563479
2,2-Di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine
CID 56631290
1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine
CID 57122865
N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine
CID 57161988
2-Piperazin-1-yl-2-piperidin-1-ylmorpholine
CID 57222581
3-Piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
CID 90694084
4-[3-(4-Methylpiperazin-1-yl)-2-piperidin-1-ylpiperidin-2-yl]morpholine
CID 90903170
4-[3-(4-Methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine
CID 90903647
4-Methyl-2-piperazin-1-yl-2-piperidin-1-ylmorpholine
CID 91014210
4-[3-(4-Methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine
CID 91151109

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine (CID 123334449) is 2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine is CN1CCN(C2(N3CCCC3)OCCNC2(N2CCCCC2)N2CCNCC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine?
The InChIKey is IZLUZJYESPCPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N7O/c1-25-16-18-29(19-17-25)22(28-12-5-6-13-28)21(24-9-20-30-22,26-10-3-2-4-11-26)27-14-7-23-8-15-27/h23-24H,2-20H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine?
2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine 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 2-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine is sourced from PubChem (CID 123334449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).