1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one

C26H50N8O3S — CID 141174788

IUPAC1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one
SMILESO=C1N(S(=O)(N2CCCCC2)(N2CCNCC2)N2CCOCC2)CCNC1(N1CCCCC1)N1CCCC1
InChIInChI=1S/C26H50N8O3S/c35-25-26(30-14-7-8-15-30,29-12-3-1-4-13-29)28-11-20-34(25)38(36,31-16-5-2-6-17-31,32-18-9-27-10-19-32)33-21-23-37-24-22-33/h27-28H,1-24H2
InChIKeyCLVXOWMUGDGTRZ-UHFFFAOYSA-N
MW554.81 g/mol
LogP-0.14
Rot. Bonds6

About 1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one

1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one (PubChem CID 141174788) has the molecular formula C26H50N8O3S and a molecular weight of 554.81 g/mol. Its IUPAC name is 1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one.

Molecular Properties

Compound Name1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one
PubChem CID141174788
Molecular FormulaC26H50N8O3S
Molecular Weight554.81 g/mol
Exact Mass554.37
IUPAC Name1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one
SMILESO=C1N(S(=O)(N2CCCCC2)(N2CCNCC2)N2CCOCC2)CCNC1(N1CCCCC1)N1CCCC1
InChIInChI=1S/C26H50N8O3S/c35-25-26(30-14-7-8-15-30,29-12-3-1-4-13-29)28-11-20-34(25)38(36,31-16-5-2-6-17-31,32-18-9-27-10-19-32)33-21-23-37-24-22-33/h27-28H,1-24H2
InChIKeyCLVXOWMUGDGTRZ-UHFFFAOYSA-N
XLogP-0.14
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.81
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-[1-[4-(Dimethylamino)piperidin-2-yl]-3-[[2-(dimethylamino)-2-(2-pyrrolidin-1-ylethylamino)ethyl]amino]-2-morpholin-4-ylpiperazin-2-yl]piperazin-2-one
CID 91391199
N,N-dimethylpropan-2-amine;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-morpholin-4-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperidin-1-yl-N-propan-2-ylacetamide;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;trimethyl(propan-2-yl)azanium
CID 159537635

Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one?
The IUPAC name of 1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one (CID 141174788) is 1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one.
What is the SMILES notation for 1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one?
The canonical SMILES for 1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one is O=C1N(S(=O)(N2CCCCC2)(N2CCNCC2)N2CCOCC2)CCNC1(N1CCCCC1)N1CCCC1.
What is the InChIKey of 1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one?
The InChIKey is CLVXOWMUGDGTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N8O3S/c35-25-26(30-14-7-8-15-30,29-12-3-1-4-13-29)28-11-20-34(25)38(36,31-16-5-2-6-17-31,32-18-9-27-10-19-32)33-21-23-37-24-22-33/h27-28H,1-24H2.
What are the key properties of 1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one?
1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one has a molecular weight of 554.81 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-yl-oxo-piperazin-1-yl-piperidin-1-yl-λ6-sulfanyl)-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-one is sourced from PubChem (CID 141174788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).