N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C18H28FN3O2 — CID 134038228

IUPACN-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCCOCCCNC(=O)C(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FN3O2/c1-3-24-14-4-9-20-18(23)15(2)21-10-12-22(13-11-21)17-7-5-16(19)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyOWDFIKOGMUACHK-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.88
Rot. Bonds8

About N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 134038228) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID134038228
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC NameN-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCCOCCCNC(=O)C(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FN3O2/c1-3-24-14-4-9-20-18(23)15(2)21-10-12-22(13-11-21)17-7-5-16(19)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyOWDFIKOGMUACHK-UHFFFAOYSA-N
XLogP1.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.88
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-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119448078
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867
(2S)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]hexanoic acid
CID 120615005
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 83284147
N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038231
4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 17171276
N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide
CID 126804234

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 134038228) is N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CCOCCCNC(=O)C(C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is OWDFIKOGMUACHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-3-24-14-4-9-20-18(23)15(2)21-10-12-22(13-11-21)17-7-5-16(19)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,23).
What are the key properties of N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 337.44 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 134038228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).