(2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide

C16H21FN2O3 — CID 99787900

IUPAC(2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide
SMILESC[C@H]1CCN(C(=O)CCOc2cccc(F)c2)[C@H](C(N)=O)C1
InChIInChI=1S/C16H21FN2O3/c1-11-5-7-19(14(9-11)16(18)21)15(20)6-8-22-13-4-2-3-12(17)10-13/h2-4,10-11,14H,5-9H2,1H3,(H2,18,21)/t11-,14-/m0/s1
InChIKeyZVJLOTKCYQOGDD-FZMZJTMJSA-N
MW308.35 g/mol
LogP1.71
Rot. Bonds5

About (2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide

(2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide (PubChem CID 99787900) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is (2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide
PubChem CID99787900
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name(2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide
SMILESC[C@H]1CCN(C(=O)CCOc2cccc(F)c2)[C@H](C(N)=O)C1
InChIInChI=1S/C16H21FN2O3/c1-11-5-7-19(14(9-11)16(18)21)15(20)6-8-22-13-4-2-3-12(17)10-13/h2-4,10-11,14H,5-9H2,1H3,(H2,18,21)/t11-,14-/m0/s1
InChIKeyZVJLOTKCYQOGDD-FZMZJTMJSA-N
XLogP1.71
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000573
(2S)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153262
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95163577
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
CID 124691675
(2R)-1-acetyl-4-[3-(3-fluorophenoxy)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124943012
4-methyl-1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 114421374
1-[(3aS,9aR)-4-methyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-1-yl]-4-(3-fluorophenoxy)butan-1-one
CID 110136356
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-chlorophenoxy)propan-1-one
CID 124693823
4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119563084

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide (CID 99787900) is (2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide is C[C@H]1CCN(C(=O)CCOc2cccc(F)c2)[C@H](C(N)=O)C1.
What is the InChIKey of (2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide?
The InChIKey is ZVJLOTKCYQOGDD-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-11-5-7-19(14(9-11)16(18)21)15(20)6-8-22-13-4-2-3-12(17)10-13/h2-4,10-11,14H,5-9H2,1H3,(H2,18,21)/t11-,14-/m0/s1.
What are the key properties of (2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide?
(2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 99787900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).