(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide

C18H27FN2O2 — CID 28576885

IUPAC(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCCC1
InChIInChI=1S/C18H27FN2O2/c1-2-17(23-16-9-7-15(19)8-10-16)18(22)20-11-6-14-21-12-4-3-5-13-21/h7-10,17H,2-6,11-14H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyAUTGNKMYEJXJSM-QGZVFWFLSA-N
MW322.42 g/mol
LogP2.98
Rot. Bonds8

About (2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide

(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide (PubChem CID 28576885) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
PubChem CID28576885
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCCC1
InChIInChI=1S/C18H27FN2O2/c1-2-17(23-16-9-7-15(19)8-10-16)18(22)20-11-6-14-21-12-4-3-5-13-21/h7-10,17H,2-6,11-14H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyAUTGNKMYEJXJSM-QGZVFWFLSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100569512
(2R)-N-[3-(azepan-1-yl)propyl]-2-(3-methylphenoxy)butanamide
CID 30399469
(2R)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 93486880
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 99952065
(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide
CID 94016366
(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
CID 99952368
(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 38011679
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789
2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide
CID 43916472
(2S)-2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 30400873
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide (CID 28576885) is (2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCCC1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide?
The InChIKey is AUTGNKMYEJXJSM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-2-17(23-16-9-7-15(19)8-10-16)18(22)20-11-6-14-21-12-4-3-5-13-21/h7-10,17H,2-6,11-14H2,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide?
(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide has a molecular weight of 322.42 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide is sourced from PubChem (CID 28576885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).