2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide

C16H23FN2O2 — CID 53286385

IUPAC2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)18-12-8-10-19(2)11-9-12/h4-7,12,14H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyKXILEJANXDNGGH-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.19
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide

2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 53286385) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID53286385
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)18-12-8-10-19(2)11-9-12/h4-7,12,14H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyKXILEJANXDNGGH-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27233651
(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 95119203
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide
CID 9172668
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide
CID 71980227
(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27232899
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402416
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 99133321
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 119625530
N-[2-(aminomethyl)cyclopentyl]-2-(2-fluorophenoxy)butanamide
CID 119605380
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2R)-N-cyclohexyl-2-(2-methoxyphenoxy)butanamide
CID 9172985

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide (CID 53286385) is 2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide is CCC(Oc1ccccc1F)C(=O)NC1CCN(C)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is KXILEJANXDNGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)18-12-8-10-19(2)11-9-12/h4-7,12,14H,3,8-11H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 294.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 53286385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).