4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid

C13H22N2O4 — CID 114265002

IUPAC4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid
SMILESC=CCOCCNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-3-7-19-8-5-14-13(18)15-6-4-10(2)9-11(15)12(16)17/h3,10-11H,1,4-9H2,2H3,(H,14,18)(H,16,17)
InChIKeyBSXHWFWUCSVOBU-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.08
Rot. Bonds6

About 4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid

4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 114265002) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID114265002
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid
SMILESC=CCOCCNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-3-7-19-8-5-14-13(18)15-6-4-10(2)9-11(15)12(16)17/h3,10-11H,1,4-9H2,2H3,(H,14,18)(H,16,17)
InChIKeyBSXHWFWUCSVOBU-UHFFFAOYSA-N
XLogP1.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425883
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
4-methyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 114421064
4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114425328
1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 102699853
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114425882
(2S)-4-hydroxy-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104929470
4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106420234

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid (CID 114265002) is 4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid is C=CCOCCNC(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is BSXHWFWUCSVOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-7-19-8-5-14-13(18)15-6-4-10(2)9-11(15)12(16)17/h3,10-11H,1,4-9H2,2H3,(H,14,18)(H,16,17).
What are the key properties of 4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid?
4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114265002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).