5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one

C20H27Cl2N3O2 — CID 11015129

IUPAC5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
SMILESO=C1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1
InChIInChI=1S/C20H27Cl2N3O2/c21-17-2-1-15(11-18(17)22)20(4-3-19(26)23-14-20)5-6-24-12-16(13-24)25-7-9-27-10-8-25/h1-2,11,16H,3-10,12-14H2,(H,23,26)
InChIKeyXTAIOACZZZEMPB-UHFFFAOYSA-N
MW412.36 g/mol
LogP2.55
Rot. Bonds5

About 5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one

5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one (PubChem CID 11015129) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
PubChem CID11015129
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
SMILESO=C1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1
InChIInChI=1S/C20H27Cl2N3O2/c21-17-2-1-15(11-18(17)22)20(4-3-19(26)23-14-20)5-6-24-12-16(13-24)25-7-9-27-10-8-25/h1-2,11,16H,3-10,12-14H2,(H,23,26)
InChIKeyXTAIOACZZZEMPB-UHFFFAOYSA-N
XLogP2.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one (CID 11015129) is 5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one is O=C1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The InChIKey is XTAIOACZZZEMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N3O2/c21-17-2-1-15(11-18(17)22)20(4-3-19(26)23-14-20)5-6-24-12-16(13-24)25-7-9-27-10-8-25/h1-2,11,16H,3-10,12-14H2,(H,23,26).
What are the key properties of 5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one has a molecular weight of 412.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 11015129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).