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

Name: Morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₆N₂O₂ — CID 5104728

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
PubChem CID	5104728
Molecular Formula	C₂₁H₂₆N₂O₂
Molecular Weight	338.45 g/mol
Exact Mass	338.20
IUPAC Name	morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
SMILES	CCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1
InChI	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
InChIKey	CFZUUGLLUGOLQY-UHFFFAOYSA-N
XLogP	3.95
TPSA	42.43 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.45
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 5104728 — identifiers, structure, computed properties (public domain)

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