3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide

C14H17FN2O3 — CID 92568904

IUPAC3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide
SMILESO=C(CCOc1cccc(F)c1)N[C@H]1CCCNC1=O
InChIInChI=1S/C14H17FN2O3/c15-10-3-1-4-11(9-10)20-8-6-13(18)17-12-5-2-7-16-14(12)19/h1,3-4,9,12H,2,5-8H2,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyFMBOVQCXTKVRLX-LBPRGKRZSA-N
MW280.30 g/mol
LogP0.99
Rot. Bonds5

About 3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide

3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide (PubChem CID 92568904) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide
PubChem CID92568904
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide
SMILESO=C(CCOc1cccc(F)c1)N[C@H]1CCCNC1=O
InChIInChI=1S/C14H17FN2O3/c15-10-3-1-4-11(9-10)20-8-6-13(18)17-12-5-2-7-16-14(12)19/h1,3-4,9,12H,2,5-8H2,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyFMBOVQCXTKVRLX-LBPRGKRZSA-N
XLogP0.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide
CID 62094525
3-(3-fluorophenoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103774376
2-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]acetamide
CID 94219466
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
3-[2-[(2-oxopiperidin-3-yl)amino]ethoxy]benzoic acid
CID 103248577
2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125017627
2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62498386
4-(4-ethoxyphenyl)-4-oxo-N-(2-oxopiperidin-3-yl)butanamide
CID 51099351
4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide
CID 94799342
N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
CID 51113416
2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 94801293

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide?
The IUPAC name of 3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide (CID 92568904) is 3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide.
What is the SMILES notation for 3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide?
The canonical SMILES for 3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide is O=C(CCOc1cccc(F)c1)N[C@H]1CCCNC1=O.
What is the InChIKey of 3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide?
The InChIKey is FMBOVQCXTKVRLX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-10-3-1-4-11(9-10)20-8-6-13(18)17-12-5-2-7-16-14(12)19/h1,3-4,9,12H,2,5-8H2,(H,16,19)(H,17,18)/t12-/m0/s1.
What are the key properties of 3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide?
3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide has a molecular weight of 280.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide is sourced from PubChem (CID 92568904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).