2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide

C20H40N6O2 — CID 134482346

IUPAC2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C2CN(CCCN3CCNCC3)CCO2)CC1
InChIInChI=1S/C20H40N6O2/c1-18(2)22-19(27)16-25-10-12-26(13-11-25)20-17-24(14-15-28-20)7-3-6-23-8-4-21-5-9-23/h18,20-21H,3-17H2,1-2H3,(H,22,27)
InChIKeyFPFSJOHJNPEGEH-UHFFFAOYSA-N
MW396.58 g/mol
LogP-0.92
Rot. Bonds8

About 2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 134482346) has the molecular formula C20H40N6O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID134482346
Molecular FormulaC20H40N6O2
Molecular Weight396.58 g/mol
Exact Mass396.32
IUPAC Name2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C2CN(CCCN3CCNCC3)CCO2)CC1
InChIInChI=1S/C20H40N6O2/c1-18(2)22-19(27)16-25-10-12-26(13-11-25)20-17-24(14-15-28-20)7-3-6-23-8-4-21-5-9-23/h18,20-21H,3-17H2,1-2H3,(H,22,27)
InChIKeyFPFSJOHJNPEGEH-UHFFFAOYSA-N
XLogP-0.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 134482346) is 2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C2CN(CCCN3CCNCC3)CCO2)CC1.
What is the InChIKey of 2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is FPFSJOHJNPEGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N6O2/c1-18(2)22-19(27)16-25-10-12-26(13-11-25)20-17-24(14-15-28-20)7-3-6-23-8-4-21-5-9-23/h18,20-21H,3-17H2,1-2H3,(H,22,27).
What are the key properties of 2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 396.58 g/mol, XLogP of -0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-piperazin-1-ylpropyl)morpholin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 134482346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).