[2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride

C17H25Cl2N3O3 — CID 110176066

IUPAC[2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride
SMILESO=C(c1cc(Cl)nc(OCC[NH+]2CCOCC2)c1)N1CCCCC1.[Cl-]
InChIInChI=1S/C17H24ClN3O3.ClH/c18-15-12-14(17(22)21-4-2-1-3-5-21)13-16(19-15)24-11-8-20-6-9-23-10-7-20;/h12-13H,1-11H2;1H
InChIKeyQTYNYRBXSSAFHH-UHFFFAOYSA-N
MW390.31 g/mol
LogP-2.34
Rot. Bonds5

About [2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride

[2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride (PubChem CID 110176066) has the molecular formula C17H25Cl2N3O3 and a molecular weight of 390.31 g/mol. Its IUPAC name is [2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride.

Molecular Properties

Compound Name[2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride
PubChem CID110176066
Molecular FormulaC17H25Cl2N3O3
Molecular Weight390.31 g/mol
Exact Mass389.13
IUPAC Name[2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride
SMILESO=C(c1cc(Cl)nc(OCC[NH+]2CCOCC2)c1)N1CCCCC1.[Cl-]
InChIInChI=1S/C17H24ClN3O3.ClH/c18-15-12-14(17(22)21-4-2-1-3-5-21)13-16(19-15)24-11-8-20-6-9-23-10-7-20;/h12-13H,1-11H2;1H
InChIKeyQTYNYRBXSSAFHH-UHFFFAOYSA-N
XLogP-2.34
TPSA56.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 5-2.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 62156377
[4-(2,6-dichloropyridine-4-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 78878529
(2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 113379656
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78902470
2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
2-[2-(aziridin-1-ium-1-yl)ethoxy]pyridine-4-carboxylate
CID 28875493
2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887514
(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 172648268
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
[2-chloro-6-(3-nitrosophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 155063591
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride?
The IUPAC name of [2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride (CID 110176066) is [2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride.
What is the SMILES notation for [2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride?
The canonical SMILES for [2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride is O=C(c1cc(Cl)nc(OCC[NH+]2CCOCC2)c1)N1CCCCC1.[Cl-].
What is the InChIKey of [2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride?
The InChIKey is QTYNYRBXSSAFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3.ClH/c18-15-12-14(17(22)21-4-2-1-3-5-21)13-16(19-15)24-11-8-20-6-9-23-10-7-20;/h12-13H,1-11H2;1H.
What are the key properties of [2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride?
[2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride has a molecular weight of 390.31 g/mol, XLogP of -2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2-morpholin-4-ium-4-ylethoxy)-4-pyridinyl]-piperidin-1-ylmethanone chloride is sourced from PubChem (CID 110176066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).