N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide

C20H28FN3O2 — CID 29200105

IUPACN-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H28FN3O2/c21-18-8-6-16(7-9-18)19(25)22-10-11-23-12-14-24(15-13-23)20(26)17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2,(H,22,25)
InChIKeyJEUFMUBXEQVRKQ-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.28
Rot. Bonds5

About N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide

N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide (PubChem CID 29200105) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
PubChem CID29200105
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC NameN-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H28FN3O2/c21-18-8-6-16(7-9-18)19(25)22-10-11-23-12-14-24(15-13-23)20(26)17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2,(H,22,25)
InChIKeyJEUFMUBXEQVRKQ-UHFFFAOYSA-N
XLogP2.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide
CID 86944988
4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
CID 78892291
4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86944964
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-9-oxofluorene-2-carboxamide
CID 86944761
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 86944940
N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 44962564
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
CID 86944684
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200300
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide (CID 29200105) is N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide is O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The InChIKey is JEUFMUBXEQVRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c21-18-8-6-16(7-9-18)19(25)22-10-11-23-12-14-24(15-13-23)20(26)17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2,(H,22,25).
What are the key properties of N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide has a molecular weight of 361.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 29200105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).