1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one

C26H29Cl2N3O2 — CID 142254523

IUPAC1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one
SMILESClc1ccccc1Cl.O=C1CCC(CCNCCOc2ccccc2)CN1c1ccccn1
InChIInChI=1S/C20H25N3O2.C6H4Cl2/c24-20-10-9-17(16-23(20)19-8-4-5-12-22-19)11-13-21-14-15-25-18-6-2-1-3-7-18;7-5-3-1-2-4-6(5)8/h1-8,12,17,21H,9-11,13-16H2;1-4H
InChIKeyYNWDZAJROKSHCI-UHFFFAOYSA-N
MW486.44 g/mol
LogP5.88
Rot. Bonds8

About 1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one

1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one (PubChem CID 142254523) has the molecular formula C26H29Cl2N3O2 and a molecular weight of 486.44 g/mol. Its IUPAC name is 1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one
PubChem CID142254523
Molecular FormulaC26H29Cl2N3O2
Molecular Weight486.44 g/mol
Exact Mass485.16
IUPAC Name1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one
SMILESClc1ccccc1Cl.O=C1CCC(CCNCCOc2ccccc2)CN1c1ccccn1
InChIInChI=1S/C20H25N3O2.C6H4Cl2/c24-20-10-9-17(16-23(20)19-8-4-5-12-22-19)11-13-21-14-15-25-18-6-2-1-3-7-18;7-5-3-1-2-4-6(5)8/h1-8,12,17,21H,9-11,13-16H2;1-4H
InChIKeyYNWDZAJROKSHCI-UHFFFAOYSA-N
XLogP5.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.44
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one?
The IUPAC name of 1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one (CID 142254523) is 1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one.
What is the SMILES notation for 1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one?
The canonical SMILES for 1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one is Clc1ccccc1Cl.O=C1CCC(CCNCCOc2ccccc2)CN1c1ccccn1.
What is the InChIKey of 1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one?
The InChIKey is YNWDZAJROKSHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.C6H4Cl2/c24-20-10-9-17(16-23(20)19-8-4-5-12-22-19)11-13-21-14-15-25-18-6-2-1-3-7-18;7-5-3-1-2-4-6(5)8/h1-8,12,17,21H,9-11,13-16H2;1-4H.
What are the key properties of 1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one?
1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one has a molecular weight of 486.44 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;5-[2-(2-phenoxyethylamino)ethyl]-1-pyridin-2-ylpiperidin-2-one is sourced from PubChem (CID 142254523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).