N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide

C13H23FN2O3 — CID 121261864

IUPACN-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CC[C@H](OC(C)C)[C@H](F)C1
InChIInChI=1S/C13H23FN2O3/c1-8(2)19-12-5-6-16(7-11(12)14)13(18)9(3)15-10(4)17/h8-9,11-12H,5-7H2,1-4H3,(H,15,17)/t9-,11+,12-/m0/s1
InChIKeyJUBBJRTYRXBMQH-WCQGTBRESA-N
MW274.34 g/mol
LogP0.88
Rot. Bonds4

About N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide

N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 121261864) has the molecular formula C13H23FN2O3 and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID121261864
Molecular FormulaC13H23FN2O3
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC NameN-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CC[C@H](OC(C)C)[C@H](F)C1
InChIInChI=1S/C13H23FN2O3/c1-8(2)19-12-5-6-16(7-11(12)14)13(18)9(3)15-10(4)17/h8-9,11-12H,5-7H2,1-4H3,(H,15,17)/t9-,11+,12-/m0/s1
InChIKeyJUBBJRTYRXBMQH-WCQGTBRESA-N
XLogP0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide with MolForge

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Related Compounds

2-(2-ethylmorpholin-4-yl)-N-propan-2-ylacetamide
CID 53525512
(S)-2-Amino-1-(4-methoxy-piperidin-1-yl)-3-methyl-butan-1-one
CID 61155723
N-cyclopentyl-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 47025120
2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide
CID 71847658
3-Ethyl-4-(3-methoxypropyl)piperazin-2-one
CID 72006583
N-[1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]acetamide
CID 128537882
N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide
CID 136514651
2-(3-Fluoro-4-methoxypiperidin-1-yl)propanamide
CID 118208339
[(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite
CID 121246999
N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 121247088
[(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261821
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone
CID 121265233

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 121261864) is N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](C)C(=O)N1CC[C@H](OC(C)C)[C@H](F)C1.
What is the InChIKey of N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is JUBBJRTYRXBMQH-WCQGTBRESA-N. The full InChI is InChI=1S/C13H23FN2O3/c1-8(2)19-12-5-6-16(7-11(12)14)13(18)9(3)15-10(4)17/h8-9,11-12H,5-7H2,1-4H3,(H,15,17)/t9-,11+,12-/m0/s1.
What are the key properties of N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 274.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 121261864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).