cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone

C19H25FN2O3 — CID 110801032

IUPACcyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1F
InChIInChI=1S/C19H25FN2O3/c1-25-17-8-7-15(13-16(17)20)19(24)22-11-9-21(10-12-22)18(23)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyNVXNGABTNHAYJH-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.70
Rot. Bonds3

About cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone

cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 110801032) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
PubChem CID110801032
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Namecyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1F
InChIInChI=1S/C19H25FN2O3/c1-25-17-8-7-15(13-16(17)20)19(24)22-11-9-21(10-12-22)18(23)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyNVXNGABTNHAYJH-UHFFFAOYSA-N
XLogP2.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028
cyclopentyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807508
cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone
CID 110803776
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
cyclopropyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806481
(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
[2-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63394926
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone (CID 110801032) is cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1F.
What is the InChIKey of cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is NVXNGABTNHAYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-25-17-8-7-15(13-16(17)20)19(24)22-11-9-21(10-12-22)18(23)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3.
What are the key properties of cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 348.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110801032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).