N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide

C22H32FN3O3 — CID 86944684

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccccc1F)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C22H32FN3O3/c23-19-8-3-4-9-20(19)29-17-5-10-21(27)24-11-12-25-13-15-26(16-14-25)22(28)18-6-1-2-7-18/h3-4,8-9,18H,1-2,5-7,10-17H2,(H,24,27)
InChIKeyWMBAHMCRYISRCS-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.44
Rot. Bonds9

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide (PubChem CID 86944684) has the molecular formula C22H32FN3O3 and a molecular weight of 405.51 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
PubChem CID86944684
Molecular FormulaC22H32FN3O3
Molecular Weight405.51 g/mol
Exact Mass405.24
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccccc1F)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C22H32FN3O3/c23-19-8-3-4-9-20(19)29-17-5-10-21(27)24-11-12-25-13-15-26(16-14-25)22(28)18-6-1-2-7-18/h3-4,8-9,18H,1-2,5-7,10-17H2,(H,24,27)
InChIKeyWMBAHMCRYISRCS-UHFFFAOYSA-N
XLogP2.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide
CID 86944948
4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721
cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 53037979
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(2-propan-2-ylphenoxy)butanamide
CID 86944834
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(4-ethoxyphenyl)propanamide
CID 86944687
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide
CID 86944988
4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 55960145
3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 62636073

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide (CID 86944684) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide is O=C(CCCOc1ccccc1F)NCCN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide?
The InChIKey is WMBAHMCRYISRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O3/c23-19-8-3-4-9-20(19)29-17-5-10-21(27)24-11-12-25-13-15-26(16-14-25)22(28)18-6-1-2-7-18/h3-4,8-9,18H,1-2,5-7,10-17H2,(H,24,27).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide has a molecular weight of 405.51 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 86944684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).