4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one

C25H49N5O2 — CID 146521770

IUPAC4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one
SMILESCN1CCN(C(C)(CCC(C)(C)N2CCOCC2)CCC(C)(C)N2CCNC(=O)C2)CC1
InChIInChI=1S/C25H49N5O2/c1-23(2,28-17-19-32-20-18-28)7-9-25(5,29-15-13-27(6)14-16-29)10-8-24(3,4)30-12-11-26-22(31)21-30/h7-21H2,1-6H3,(H,26,31)
InChIKeyPLVRXQQIMVWROA-UHFFFAOYSA-N
MW451.70 g/mol
LogP1.87
Rot. Bonds9

About 4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one

4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one (PubChem CID 146521770) has the molecular formula C25H49N5O2 and a molecular weight of 451.70 g/mol. Its IUPAC name is 4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one
PubChem CID146521770
Molecular FormulaC25H49N5O2
Molecular Weight451.70 g/mol
Exact Mass451.39
IUPAC Name4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one
SMILESCN1CCN(C(C)(CCC(C)(C)N2CCOCC2)CCC(C)(C)N2CCNC(=O)C2)CC1
InChIInChI=1S/C25H49N5O2/c1-23(2,28-17-19-32-20-18-28)7-9-25(5,29-15-13-27(6)14-16-29)10-8-24(3,4)30-12-11-26-22(31)21-30/h7-21H2,1-6H3,(H,26,31)
InChIKeyPLVRXQQIMVWROA-UHFFFAOYSA-N
XLogP1.87
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one with MolForge

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Related Compounds

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1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
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4-(4-amino-3,3-dimethylbutyl)piperazin-2-one
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1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one?
The IUPAC name of 4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one (CID 146521770) is 4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one?
The canonical SMILES for 4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one is CN1CCN(C(C)(CCC(C)(C)N2CCOCC2)CCC(C)(C)N2CCNC(=O)C2)CC1.
What is the InChIKey of 4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one?
The InChIKey is PLVRXQQIMVWROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N5O2/c1-23(2,28-17-19-32-20-18-28)7-9-25(5,29-15-13-27(6)14-16-29)10-8-24(3,4)30-12-11-26-22(31)21-30/h7-21H2,1-6H3,(H,26,31).
What are the key properties of 4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one?
4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one has a molecular weight of 451.70 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5,8-trimethyl-5-(4-methylpiperazin-1-yl)-8-morpholin-4-ylnonan-2-yl]piperazin-2-one is sourced from PubChem (CID 146521770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).