morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone

C21H26N2O2 — CID 5104728

IUPACmorpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
SMILESCCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1
InChIInChI=1S/C21H26N2O2/c1-2-3-4-5-17-6-11-20(22-16-17)18-7-9-19(10-8-18)21(24)23-12-14-25-15-13-23/h6-11,16H,2-5,12-15H2,1H3
InChIKeyCFZUUGLLUGOLQY-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.95
Rot. Bonds6

About morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone

morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone (PubChem CID 5104728) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
PubChem CID5104728
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namemorpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
SMILESCCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1
InChIInChI=1S/C21H26N2O2/c1-2-3-4-5-17-6-11-20(22-16-17)18-7-9-19(10-8-18)21(24)23-12-14-25-15-13-23/h6-11,16H,2-5,12-15H2,1H3
InChIKeyCFZUUGLLUGOLQY-UHFFFAOYSA-N
XLogP3.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-decylpyrimidin-2-yl)phenyl]-[4,7,10,13,16-pentakis[4-(5-decylpyrimidin-2-yl)benzoyl]-1,4,7,10,13,16-hexazacyclooctadec-1-yl]methanone
CID 139844776
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621534
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
5-heptyl-2-[4-(5-nonyl-2-pyridinyl)phenyl]pyrimidine
CID 139621543
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541
5-decyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139626597
5-decyl-2-[4-(5-heptyl-2-pyridinyl)phenyl]pyrimidine
CID 139621535

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone (CID 5104728) is morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone is CCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1.
What is the InChIKey of morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone?
The InChIKey is CFZUUGLLUGOLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-3-4-5-17-6-11-20(22-16-17)18-7-9-19(10-8-18)21(24)23-12-14-25-15-13-23/h6-11,16H,2-5,12-15H2,1H3.
What are the key properties of morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone?
morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone is sourced from PubChem (CID 5104728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).