1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid

C19H26N2O4 — CID 102559914

IUPAC1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)12-20-16(22)13-7-9-14(10-8-13)17(23)21-11-5-4-6-15(21)18(24)25/h7-10,15H,4-6,11-12H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyUBNFVUWHGOMWHC-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.54
Rot. Bonds4

About 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid

1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid (PubChem CID 102559914) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
PubChem CID102559914
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)12-20-16(22)13-7-9-14(10-8-13)17(23)21-11-5-4-6-15(21)18(24)25/h7-10,15H,4-6,11-12H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyUBNFVUWHGOMWHC-UHFFFAOYSA-N
XLogP2.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116009
1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120514922
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120515009
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113497
1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
CID 119175893
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2R)-1-[4-[(S)-methylsulfinyl]benzoyl]piperidine-2-carboxylic acid
CID 124577139
(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
CID 66264234
(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carboxylic acid
CID 170549555
(2S)-1-[4-(tert-butylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119364995
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide
CID 119412429
(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120537319

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid (CID 102559914) is 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid is CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
The InChIKey is UBNFVUWHGOMWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2,3)12-20-16(22)13-7-9-14(10-8-13)17(23)21-11-5-4-6-15(21)18(24)25/h7-10,15H,4-6,11-12H2,1-3H3,(H,20,22)(H,24,25).
What are the key properties of 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 102559914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).