[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone

C15H20FNO2 — CID 79067601

IUPAC[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(N(C)C)CCCC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-17(2)15(8-4-5-9-15)14(18)11-6-7-13(19-3)12(16)10-11/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyCIOXTVASKMBVDY-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.89
Rot. Bonds4

About [1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone

[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 79067601) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID79067601
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(N(C)C)CCCC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-17(2)15(8-4-5-9-15)14(18)11-6-7-13(19-3)12(16)10-11/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyCIOXTVASKMBVDY-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 79067931
[1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288197
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066338
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476859
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768
3-fluoro-4-methoxybenzoate
CID 4251674
N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 114303483
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone (CID 79067601) is [1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)C2(N(C)C)CCCC2)cc1F.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is CIOXTVASKMBVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-17(2)15(8-4-5-9-15)14(18)11-6-7-13(19-3)12(16)10-11/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone?
[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 265.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 79067601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).