1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid

C13H22N2O3 — CID 108914589

IUPAC1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid
SMILESC/C(=C\NC(=O)N1CCC(C(=O)O)CC1)C(C)C
InChIInChI=1S/C13H22N2O3/c1-9(2)10(3)8-14-13(18)15-6-4-11(5-7-15)12(16)17/h8-9,11H,4-7H2,1-3H3,(H,14,18)(H,16,17)/b10-8+
InChIKeyRXOZQGNWUMULRP-CSKARUKUSA-N
MW254.33 g/mol
LogP2.05
Rot. Bonds3

About 1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid

1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 108914589) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID108914589
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid
SMILESC/C(=C\NC(=O)N1CCC(C(=O)O)CC1)C(C)C
InChIInChI=1S/C13H22N2O3/c1-9(2)10(3)8-14-13(18)15-6-4-11(5-7-15)12(16)17/h8-9,11H,4-7H2,1-3H3,(H,14,18)(H,16,17)/b10-8+
InChIKeyRXOZQGNWUMULRP-CSKARUKUSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(E)-2-cyclopropylethenyl]carbamoyl]piperidine-4-carboxylic acid
CID 108915708
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide
CID 108914590
N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108914650
1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 113450641
1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122017364
N-[(E)-2-cyclopropylprop-1-enyl]pyrrolidine-1-carboxamide
CID 108915443
N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide
CID 108915415
1-(2-ethylhexylcarbamoyl)piperidine-4-carboxylic acid
CID 107817441
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 61478723
1-(2-chloroethylcarbamoyl)piperidine-4-carboxylic acid
CID 16769941

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid (CID 108914589) is 1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid is C/C(=C\NC(=O)N1CCC(C(=O)O)CC1)C(C)C.
What is the InChIKey of 1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is RXOZQGNWUMULRP-CSKARUKUSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)10(3)8-14-13(18)15-6-4-11(5-7-15)12(16)17/h8-9,11H,4-7H2,1-3H3,(H,14,18)(H,16,17)/b10-8+.
What are the key properties of 1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 108914589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).