[1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone

C17H23NO3 — CID 972908

IUPAC[1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C2(C(=O)N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-20-15-6-4-14(5-7-15)17(8-2-3-9-17)16(19)18-10-12-21-13-11-18/h4-7H,2-3,8-13H2,1H3
InChIKeyOTBHCEUVWWPTQJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.37
Rot. Bonds3

About [1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone

[1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone (PubChem CID 972908) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone
PubChem CID972908
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name[1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C2(C(=O)N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-20-15-6-4-14(5-7-15)17(8-2-3-9-17)16(19)18-10-12-21-13-11-18/h4-7H,2-3,8-13H2,1H3
InChIKeyOTBHCEUVWWPTQJ-UHFFFAOYSA-N
XLogP2.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carboxylic acid 4-(4-methoxy-phenyl)-butyl ester
CID 15380476
3-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 3946238
1-[(4-Methoxyphenyl)acetyl]-4-methylpiperazine
CID 551032
2-(2-Methoxy-phenyl)-1-morpholin-4-yl-ethanone
CID 669556
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 1-ethyl-2-(4-methoxy-phenyl)-4-phenyl-butyl ester
CID 44365587
3-(4-Phenylpiperidin-1-yl)propyl 1-(4-methoxyphenyl)cyclopentane-1-carboxylate;hydrochloride
CID 45263816
1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentanecarboxamide
CID 976659
[3-(4-Methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 1104784
2-(4-Methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2908424
3-(4-Heptyloxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3095544
1-Methyl-3-[4-(3-methylbutoxy)phenyl]pyrrolidine-2,5-dione
CID 3100539
3-(4-Isopropoxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3105271

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone (CID 972908) is [1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone is COc1ccc(C2(C(=O)N3CCOCC3)CCCC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone?
The InChIKey is OTBHCEUVWWPTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15-6-4-14(5-7-15)17(8-2-3-9-17)16(19)18-10-12-21-13-11-18/h4-7H,2-3,8-13H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone?
[1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone has a molecular weight of 289.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopentyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 972908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).