1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid

C20H28N2O4 — CID 119349224

IUPAC1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-20(2,3)16-6-4-14(5-7-16)18(24)21-11-8-17(23)22-12-9-15(10-13-22)19(25)26/h4-7,15H,8-13H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyXQJOYIJUKQBCEO-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.43
Rot. Bonds5

About 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid

1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid (PubChem CID 119349224) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
PubChem CID119349224
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-20(2,3)16-6-4-14(5-7-16)18(24)21-11-8-17(23)22-12-9-15(10-13-22)19(25)26/h4-7,15H,8-13H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyXQJOYIJUKQBCEO-UHFFFAOYSA-N
XLogP2.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499358
N-[3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzamide;hydrochloride
CID 119423345
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533814
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-tert-butylbenzamide
CID 9296439
1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid
CID 43170437
4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
CID 36802749
4-tert-butyl-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide
CID 46656226
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55854236
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid (CID 119349224) is 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid is CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid?
The InChIKey is XQJOYIJUKQBCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-20(2,3)16-6-4-14(5-7-16)18(24)21-11-8-17(23)22-12-9-15(10-13-22)19(25)26/h4-7,15H,8-13H2,1-3H3,(H,21,24)(H,25,26).
What are the key properties of 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid?
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).