2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide

C17H24FN3O3 — CID 69462337

IUPAC2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(NC(=O)C[C@H](C)O)CCN1C(N)=O
InChIInChI=1S/C17H24FN3O3/c1-10-7-12(18)3-4-14(10)15-9-13(5-6-21(15)17(19)24)20-16(23)8-11(2)22/h3-4,7,11,13,15,22H,5-6,8-9H2,1-2H3,(H2,19,24)(H,20,23)/t11-,13?,15?/m0/s1
InChIKeyFLRSOIXDGACEDL-ZOODHJKOSA-N
MW337.40 g/mol
LogP1.61
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide

2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide (PubChem CID 69462337) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide
PubChem CID69462337
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(NC(=O)C[C@H](C)O)CCN1C(N)=O
InChIInChI=1S/C17H24FN3O3/c1-10-7-12(18)3-4-14(10)15-9-13(5-6-21(15)17(19)24)20-16(23)8-11(2)22/h3-4,7,11,13,15,22H,5-6,8-9H2,1-2H3,(H2,19,24)(H,20,23)/t11-,13?,15?/m0/s1
InChIKeyFLRSOIXDGACEDL-ZOODHJKOSA-N
XLogP1.61
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
CID 142832633
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-4-[[(3R)-3-hydroxybutanoyl]amino]-N-methylpiperidine-1-carboxamide
CID 10348172
2-(4-fluoro-2-methylphenyl)-4-morpholin-4-ylpiperidine-1-carboxamide
CID 142832547
4-[(2-aminoacetyl)amino]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;hydrochloride
CID 87844771
(2R,4S)-4-[carbamoyl(methyl)amino]-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68878667
[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 154454349
(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate
CID 158441754
(2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68878588
butyl N-[(2R,4S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl-methylcarbamoyl]-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
CID 87738119
4-(benzylamino)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 91140649
(2S,4R)-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoyl)-N-methylpiperidine-1-carboxamide
CID 89135166
(2R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[2-fluoroethyl(methyl)amino]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 91186514

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide (CID 69462337) is 2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide is Cc1cc(F)ccc1C1CC(NC(=O)C[C@H](C)O)CCN1C(N)=O.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide?
The InChIKey is FLRSOIXDGACEDL-ZOODHJKOSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-10-7-12(18)3-4-14(10)15-9-13(5-6-21(15)17(19)24)20-16(23)8-11(2)22/h3-4,7,11,13,15,22H,5-6,8-9H2,1-2H3,(H2,19,24)(H,20,23)/t11-,13?,15?/m0/s1.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide?
2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.61, 4 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-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 69462337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).