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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Related Compounds

(5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one
CID 58649102
5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 45173022
1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one
CID 10125999
(5R)-5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 26340358
4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid
CID 103255061
N-[2-(oxolan-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 102671422
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 24817182
1-(1-benzylpyrrolidin-3-yl)-5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]pyrrolidin-2-one
CID 45230405
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081
3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522
5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-2-one
CID 45249931

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).