[4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone

C21H25ClN4O2 — CID 11618264

IUPAC[4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESCN1CCN(c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cc(Cl)n2)CC1
InChIInChI=1S/C21H25ClN4O2/c1-24-6-8-25(9-7-24)20-15-18(14-19(22)23-20)16-2-4-17(5-3-16)21(27)26-10-12-28-13-11-26/h2-5,14-15H,6-13H2,1H3
InChIKeyCJSMETYPQCURJB-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.63
Rot. Bonds3

About [4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone

[4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 11618264) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is [4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone
PubChem CID11618264
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name[4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESCN1CCN(c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cc(Cl)n2)CC1
InChIInChI=1S/C21H25ClN4O2/c1-24-6-8-25(9-7-24)20-15-18(14-19(22)23-20)16-2-4-17(5-3-16)21(27)26-10-12-28-13-11-26/h2-5,14-15H,6-13H2,1H3
InChIKeyCJSMETYPQCURJB-UHFFFAOYSA-N
XLogP2.63
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-Chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 932464
7-chloro-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086888
5-(4-chlorophenyl)-N-((2-morpholinopyridin-3-yl)methyl)nicotinamide
CID 52949503
8-Chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one
CID 53326075
N-(2,6-Di-4-morpholinyl-3-pyridinyl)-4-methylbenzamide
CID 2741372
1-{3-[1-(2-Chlorobenzoyl)-3-piperidinyl]propanoyl}-4-(2-pyridinyl)piperazine
CID 24817590
(4-Methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone
CID 53149904
N-[2-(Morpholin-4-YL)ethyl]-4-[6-(piperidin-1-YL)pyridin-3-YL]benzamide
CID 53149913
(4-Chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 46912163
(4-(4-Methyl-6-morpholinopyrimidin-2-yl)piperazin-1-yl)(4-(trifluoromethyl)phenyl)methanone
CID 27477577
(4-(6-Methyl-2-morpholinopyrimidin-4-yl)piperazin-1-yl)(o-tolyl)methanone
CID 53047629
(4-Methylphenyl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97450942

Frequently Asked Questions

What is the IUPAC name of [4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone (CID 11618264) is [4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone is CN1CCN(c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cc(Cl)n2)CC1.
What is the InChIKey of [4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is CJSMETYPQCURJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-24-6-8-25(9-7-24)20-15-18(14-19(22)23-20)16-2-4-17(5-3-16)21(27)26-10-12-28-13-11-26/h2-5,14-15H,6-13H2,1H3.
What are the key properties of [4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone?
[4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 400.91 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11618264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).