1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid

C15H26N2O3 — CID 122016418

IUPAC1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)(CNC(=O)N1CCCC(C(=O)O)C1)C1CCC1
InChIInChI=1S/C15H26N2O3/c1-15(2,12-6-3-7-12)10-16-14(20)17-8-4-5-11(9-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBWNWQPGTBIZJDX-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.32
Rot. Bonds4

About 1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid

1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122016418) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122016418
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)(CNC(=O)N1CCCC(C(=O)O)C1)C1CCC1
InChIInChI=1S/C15H26N2O3/c1-15(2,12-6-3-7-12)10-16-14(20)17-8-4-5-11(9-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBWNWQPGTBIZJDX-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 81126024
(3S)-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104864513
(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104985172
1-[(2-methoxy-2-methylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122016303
1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000719
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid (CID 122016418) is 1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid is CC(C)(CNC(=O)N1CCCC(C(=O)O)C1)C1CCC1.
What is the InChIKey of 1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BWNWQPGTBIZJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,12-6-3-7-12)10-16-14(20)17-8-4-5-11(9-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122016418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).