1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one

C25H44N8O3 — CID 141106880

IUPAC1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one
SMILESO=C1CCCCN1C1(N2CCNCC2)NCCN(N2CCCCC2)C1(C1NCCO1)N1CCCC1=O
InChIInChI=1S/C25H44N8O3/c34-21-8-6-16-31(21)24(23-27-12-20-36-23)25(29-17-9-26-10-18-29,32-15-5-2-7-22(32)35)28-11-19-33(24)30-13-3-1-4-14-30/h23,26-28H,1-20H2
InChIKeyPKODMDNLWRUUIK-UHFFFAOYSA-N
MW504.68 g/mol
LogP-0.87
Rot. Bonds5

About 1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one

1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one (PubChem CID 141106880) has the molecular formula C25H44N8O3 and a molecular weight of 504.68 g/mol. Its IUPAC name is 1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one
PubChem CID141106880
Molecular FormulaC25H44N8O3
Molecular Weight504.68 g/mol
Exact Mass504.35
IUPAC Name1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one
SMILESO=C1CCCCN1C1(N2CCNCC2)NCCN(N2CCCCC2)C1(C1NCCO1)N1CCCC1=O
InChIInChI=1S/C25H44N8O3/c34-21-8-6-16-31(21)24(23-27-12-20-36-23)25(29-17-9-26-10-18-29,32-15-5-2-7-22(32)35)28-11-19-33(24)30-13-3-1-4-14-30/h23,26-28H,1-20H2
InChIKeyPKODMDNLWRUUIK-UHFFFAOYSA-N
XLogP-0.87
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.68
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one with MolForge

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Related Compounds

1-(4-Morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one
CID 141147656

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one?
The IUPAC name of 1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one (CID 141106880) is 1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one?
The canonical SMILES for 1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one is O=C1CCCCN1C1(N2CCNCC2)NCCN(N2CCCCC2)C1(C1NCCO1)N1CCCC1=O.
What is the InChIKey of 1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one?
The InChIKey is PKODMDNLWRUUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N8O3/c34-21-8-6-16-31(21)24(23-27-12-20-36-23)25(29-17-9-26-10-18-29,32-15-5-2-7-22(32)35)28-11-19-33(24)30-13-3-1-4-14-30/h23,26-28H,1-20H2.
What are the key properties of 1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one?
1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one has a molecular weight of 504.68 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-oxazolidin-2-yl)-3-(2-oxopyrrolidin-1-yl)-2-piperazin-1-yl-4-piperidin-1-ylpiperazin-2-yl]piperidin-2-one is sourced from PubChem (CID 141106880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).