2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide

C17H24FN3O3 — CID 69464426

IUPAC2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide
SMILESCOC(C)C(=O)NC1CCN(C(N)=O)C(c2ccc(F)cc2C)C1
InChIInChI=1S/C17H24FN3O3/c1-10-8-12(18)4-5-14(10)15-9-13(6-7-21(15)17(19)23)20-16(22)11(2)24-3/h4-5,8,11,13,15H,6-7,9H2,1-3H3,(H2,19,23)(H,20,22)
InChIKeyLKZRIBJGUVXADZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.87
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide

2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide (PubChem CID 69464426) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide
PubChem CID69464426
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide
SMILESCOC(C)C(=O)NC1CCN(C(N)=O)C(c2ccc(F)cc2C)C1
InChIInChI=1S/C17H24FN3O3/c1-10-8-12(18)4-5-14(10)15-9-13(6-7-21(15)17(19)23)20-16(22)11(2)24-3/h4-5,8,11,13,15H,6-7,9H2,1-3H3,(H2,19,23)(H,20,22)
InChIKeyLKZRIBJGUVXADZ-UHFFFAOYSA-N
XLogP1.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-N-methylpiperidine-1-carboxamide
CID 51003053
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-2-methoxy-acetamide
CID 652397
N-((4-(4-Fluorobenzyl)morpholin-2-yl)methyl)acetamide
CID 10683176
US10071974, Example 10
CID 121346611
4-(2-Methoxy-acetylamino)-piperidine-1-carboxylic acid benzylamide
CID 654664
N-{2-[4-(2-fluorobenzyl)morpholin-2-yl]ethyl}-2,2-dimethylpropanamide
CID 56719606
(4aR,7aS)-N-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide
CID 56775288
1-[2-(4-Fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea
CID 71856970
(6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 71919359
4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide
CID 71934725
2-Methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone
CID 97449335

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide (CID 69464426) is 2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide is COC(C)C(=O)NC1CCN(C(N)=O)C(c2ccc(F)cc2C)C1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide?
The InChIKey is LKZRIBJGUVXADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-10-8-12(18)4-5-14(10)15-9-13(6-7-21(15)17(19)23)20-16(22)11(2)24-3/h4-5,8,11,13,15H,6-7,9H2,1-3H3,(H2,19,23)(H,20,22).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide?
2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-4-(2-methoxypropanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 69464426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).