morpholin-4-yl-(4-pentylcyclohexyl)methanone

C16H29NO2 — CID 588415

IUPACmorpholin-4-yl-(4-pentylcyclohexyl)methanone
SMILESCCCCCC1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H29NO2/c1-2-3-4-5-14-6-8-15(9-7-14)16(18)17-10-12-19-13-11-17/h14-15H,2-13H2,1H3
InChIKeyPZTKFYBAZZHWLG-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds5

About morpholin-4-yl-(4-pentylcyclohexyl)methanone

morpholin-4-yl-(4-pentylcyclohexyl)methanone (PubChem CID 588415) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is morpholin-4-yl-(4-pentylcyclohexyl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(4-pentylcyclohexyl)methanone
PubChem CID588415
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Namemorpholin-4-yl-(4-pentylcyclohexyl)methanone
SMILESCCCCCC1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H29NO2/c1-2-3-4-5-14-6-8-15(9-7-14)16(18)17-10-12-19-13-11-17/h14-15H,2-13H2,1H3
InChIKeyPZTKFYBAZZHWLG-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze morpholin-4-yl-(4-pentylcyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(4-pentylcyclohexyl)methanone?
The IUPAC name of morpholin-4-yl-(4-pentylcyclohexyl)methanone (CID 588415) is morpholin-4-yl-(4-pentylcyclohexyl)methanone.
What is the SMILES notation for morpholin-4-yl-(4-pentylcyclohexyl)methanone?
The canonical SMILES for morpholin-4-yl-(4-pentylcyclohexyl)methanone is CCCCCC1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of morpholin-4-yl-(4-pentylcyclohexyl)methanone?
The InChIKey is PZTKFYBAZZHWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-3-4-5-14-6-8-15(9-7-14)16(18)17-10-12-19-13-11-17/h14-15H,2-13H2,1H3.
What are the key properties of morpholin-4-yl-(4-pentylcyclohexyl)methanone?
morpholin-4-yl-(4-pentylcyclohexyl)methanone has a molecular weight of 267.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-pentylcyclohexyl)methanone is sourced from PubChem (CID 588415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).