[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C15H22ClN3O4 — CID 71885672

IUPAC[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCOCCOc1ccc(Cl)c(C(=O)N2CCN(CCO)CC2)n1
InChIInChI=1S/C15H22ClN3O4/c1-22-10-11-23-13-3-2-12(16)14(17-13)15(21)19-6-4-18(5-7-19)8-9-20/h2-3,20H,4-11H2,1H3
InChIKeyDYUDGSFMMZWYHG-UHFFFAOYSA-N
MW343.81 g/mol
LogP0.51
Rot. Bonds7

About [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 71885672) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID71885672
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC Name[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCOCCOc1ccc(Cl)c(C(=O)N2CCN(CCO)CC2)n1
InChIInChI=1S/C15H22ClN3O4/c1-22-10-11-23-13-3-2-12(16)14(17-13)15(21)19-6-4-18(5-7-19)8-9-20/h2-3,20H,4-11H2,1H3
InChIKeyDYUDGSFMMZWYHG-UHFFFAOYSA-N
XLogP0.51
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-6-(propan-2-yloxy)pyridine-2-carboxylic acid
CID 28491284
3-chloro-6-ethoxy-N-methylpyridine-2-carboxamide
CID 47377989
Ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate
CID 47437528
2-[4-(3-Chloro-6-ethoxypyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 48171767
3-chloro-6-ethoxy-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 51092036
Methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate
CID 51092046
(3-Chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 53619922
(3-Chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53625211
(3-Chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56783446
(3-Chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 56818930
(3-Chloro-6-ethoxy-2-pyridinyl)-(1,4-thiazepan-4-yl)methanone
CID 71937447
(3-Chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71937748

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 71885672) is [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is COCCOc1ccc(Cl)c(C(=O)N2CCN(CCO)CC2)n1.
What is the InChIKey of [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is DYUDGSFMMZWYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4/c1-22-10-11-23-13-3-2-12(16)14(17-13)15(21)19-6-4-18(5-7-19)8-9-20/h2-3,20H,4-11H2,1H3.
What are the key properties of [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 343.81 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71885672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).