1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid

C18H23FN2O5 — CID 119251061

IUPAC1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C18H23FN2O5/c1-11(2)14(20-15(22)12-3-5-13(19)6-4-12)16(23)21-9-7-18(26,8-10-21)17(24)25/h3-6,11,14,26H,7-10H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyOTFHSCLHXGIUMI-UHFFFAOYSA-N
MW366.39 g/mol
LogP1.02
Rot. Bonds5

About 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid

1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251061) has the molecular formula C18H23FN2O5 and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251061
Molecular FormulaC18H23FN2O5
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C18H23FN2O5/c1-11(2)14(20-15(22)12-3-5-13(19)6-4-12)16(23)21-9-7-18(26,8-10-21)17(24)25/h3-6,11,14,26H,7-10H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyOTFHSCLHXGIUMI-UHFFFAOYSA-N
XLogP1.02
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174706
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251591
4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide
CID 97256092
methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate
CID 97254272
4-hydroxy-1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119251773
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7774591
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
CID 55520284
4-fluoro-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119490050
4-fluoro-N-[3-methyl-1-(2-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzamide
CID 51145484
N-[1-(3-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide;hydrochloride
CID 119379031
N-[1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 87029912

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251061) is 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid is CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is OTFHSCLHXGIUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O5/c1-11(2)14(20-15(22)12-3-5-13(19)6-4-12)16(23)21-9-7-18(26,8-10-21)17(24)25/h3-6,11,14,26H,7-10H2,1-2H3,(H,20,22)(H,24,25).
What are the key properties of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 366.39 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).