1-morpholin-4-yl-1-phenylheptan-2-one

C17H25NO2 — CID 102574890

IUPAC1-morpholin-4-yl-1-phenylheptan-2-one
SMILESCCCCCC(=O)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25NO2/c1-2-3-5-10-16(19)17(15-8-6-4-7-9-15)18-11-13-20-14-12-18/h4,6-9,17H,2-3,5,10-14H2,1H3
InChIKeyJSXKJTWWOFPFQT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.21
Rot. Bonds7

About 1-morpholin-4-yl-1-phenylheptan-2-one

1-morpholin-4-yl-1-phenylheptan-2-one (PubChem CID 102574890) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-morpholin-4-yl-1-phenylheptan-2-one.

Molecular Properties

Compound Name1-morpholin-4-yl-1-phenylheptan-2-one
PubChem CID102574890
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-morpholin-4-yl-1-phenylheptan-2-one
SMILESCCCCCC(=O)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25NO2/c1-2-3-5-10-16(19)17(15-8-6-4-7-9-15)18-11-13-20-14-12-18/h4,6-9,17H,2-3,5,10-14H2,1H3
InChIKeyJSXKJTWWOFPFQT-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-morpholin-4-yl-1-phenylheptan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
N-(methylcarbamoyl)-2-morpholin-4-yl-2-phenylacetamide
CID 17441773
1-amino-1-phenylheptan-2-one
CID 116551276
5-morpholin-4-yl-5-phenylpentan-2-one
CID 67114614
ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324
ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate
CID 101092086
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189
1-chloro-1-phenyldecan-2-one
CID 81235866
3-phenyltetradecan-4-one
CID 114968845
1-chloro-1-phenylnonan-2-one
CID 81236884

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-1-phenylheptan-2-one?
The IUPAC name of 1-morpholin-4-yl-1-phenylheptan-2-one (CID 102574890) is 1-morpholin-4-yl-1-phenylheptan-2-one.
What is the SMILES notation for 1-morpholin-4-yl-1-phenylheptan-2-one?
The canonical SMILES for 1-morpholin-4-yl-1-phenylheptan-2-one is CCCCCC(=O)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-1-phenylheptan-2-one?
The InChIKey is JSXKJTWWOFPFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-3-5-10-16(19)17(15-8-6-4-7-9-15)18-11-13-20-14-12-18/h4,6-9,17H,2-3,5,10-14H2,1H3.
What are the key properties of 1-morpholin-4-yl-1-phenylheptan-2-one?
1-morpholin-4-yl-1-phenylheptan-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-1-phenylheptan-2-one is sourced from PubChem (CID 102574890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).