2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide

C17H24FN3O3 — CID 69463472

IUPAC2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(NC(=O)C(C)(C)O)CCN1C(N)=O
InChIInChI=1S/C17H24FN3O3/c1-10-8-11(18)4-5-13(10)14-9-12(6-7-21(14)16(19)23)20-15(22)17(2,3)24/h4-5,8,12,14,24H,6-7,9H2,1-3H3,(H2,19,23)(H,20,22)
InChIKeyTUKKWVUNZDHAON-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.61
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide

2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide (PubChem CID 69463472) 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-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide
PubChem CID69463472
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(NC(=O)C(C)(C)O)CCN1C(N)=O
InChIInChI=1S/C17H24FN3O3/c1-10-8-11(18)4-5-13(10)14-9-12(6-7-21(14)16(19)23)20-15(22)17(2,3)24/h4-5,8,12,14,24H,6-7,9H2,1-3H3,(H2,19,23)(H,20,22)
InChIKeyTUKKWVUNZDHAON-UHFFFAOYSA-N
XLogP1.61
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330657
4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide
CID 3230402
1-(2-Fluorobenzyl)-3-hydroxy-3-{[(1-methyl-4-piperidinyl)amino]methyl}-2-piperidinone
CID 45189456
1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)methyl]urea
CID 53549907
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(o-tolyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 71593609
N-[(4-Fluorophenyl)methyl]-3-(propanamidomethyl)piperidine-1-carboxamide
CID 71840471
5,8-difluoro-N-[3-oxo-3-(propylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71974458
Sdccgsbi-0116972.P001
CID 45173581
(3R)-3-[(cyclopropylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 25381481
1-(4-Fluorobenzyl)-3-hydroxy-3-{[(2-methylbenzyl)amino]methyl}-2-piperidinone
CID 45179538
1-(4-Fluorobenzyl)-3-hydroxy-3-[(isobutylamino)methyl]-2-piperidinone
CID 45193805
1-(2,3-Difluorobenzyl)-3-hydroxy-3-[(propylamino)methyl]-2-piperidinone
CID 45205242

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide (CID 69463472) is 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide is Cc1cc(F)ccc1C1CC(NC(=O)C(C)(C)O)CCN1C(N)=O.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide?
The InChIKey is TUKKWVUNZDHAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-10-8-11(18)4-5-13(10)14-9-12(6-7-21(14)16(19)23)20-15(22)17(2,3)24/h4-5,8,12,14,24H,6-7,9H2,1-3H3,(H2,19,23)(H,20,22).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide?
2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxy-2-methylpropanoyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 69463472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).