1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one

C26H45N7O3 — CID 141147656

IUPAC1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one
SMILESO=C1CCCCN1C1(N2CCCCC2)C(=O)N(N2CCCC2)CC1(N1CCNCC1)N1CCOCC1
InChIInChI=1S/C26H45N7O3/c34-23-8-2-5-15-32(23)26(30-11-3-1-4-12-30)24(35)33(31-13-6-7-14-31)22-25(26,28-16-9-27-10-17-28)29-18-20-36-21-19-29/h27H,1-22H2
InChIKeyISGJPWHRCBTAJE-UHFFFAOYSA-N
MW503.69 g/mol
LogP-0.03
Rot. Bonds5

About 1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one

1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one (PubChem CID 141147656) has the molecular formula C26H45N7O3 and a molecular weight of 503.69 g/mol. Its IUPAC name is 1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one
PubChem CID141147656
Molecular FormulaC26H45N7O3
Molecular Weight503.69 g/mol
Exact Mass503.36
IUPAC Name1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one
SMILESO=C1CCCCN1C1(N2CCCCC2)C(=O)N(N2CCCC2)CC1(N1CCNCC1)N1CCOCC1
InChIInChI=1S/C26H45N7O3/c34-23-8-2-5-15-32(23)26(30-11-3-1-4-12-30)24(35)33(31-13-6-7-14-31)22-25(26,28-16-9-27-10-17-28)29-18-20-36-21-19-29/h27H,1-22H2
InChIKeyISGJPWHRCBTAJE-UHFFFAOYSA-N
XLogP-0.03
TPSA74.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.69
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

3-Morpholin-4-yl-4-piperazin-1-yl-4-piperidin-1-yl-1-pyrrolidin-1-yl-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 139913874
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
1-Methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione
CID 149253274

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one?
The IUPAC name of 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) is 1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one.
What is the SMILES notation for 1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one?
The canonical SMILES for 1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one is O=C1CCCCN1C1(N2CCCCC2)C(=O)N(N2CCCC2)CC1(N1CCNCC1)N1CCOCC1.
What is the InChIKey of 1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one?
The InChIKey is ISGJPWHRCBTAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N7O3/c34-23-8-2-5-15-32(23)26(30-11-3-1-4-12-30)24(35)33(31-13-6-7-14-31)22-25(26,28-16-9-27-10-17-28)29-18-20-36-21-19-29/h27H,1-22H2.
What are the key properties of 1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one?
1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one has a molecular weight of 503.69 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one is sourced from PubChem (CID 141147656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).