1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid

C12H22N2O4 — CID 113450641

IUPAC1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(C)OCCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-9(2)18-8-5-13-12(17)14-6-3-10(4-7-14)11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyNUMJXQMHATWDCK-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds5

About 1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid

1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 113450641) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID113450641
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(C)OCCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-9(2)18-8-5-13-12(17)14-6-3-10(4-7-14)11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyNUMJXQMHATWDCK-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-propan-2-yloxyethyl)piperidine-1-carboxamide
CID 104578083
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
3-[1-(2-propan-2-yloxyethylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 104763771
1-(2-propan-2-yloxyethylcarbamoyl)azepane-2-carboxylic acid
CID 113450642
1-(2-chloroethylcarbamoyl)piperidine-4-carboxylic acid
CID 16769941
4-(2-propan-2-yloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113450614
4-ethyl-1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 104763628
4-[(2-propan-2-yloxyethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532230
1-(3-methylsulfanylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 63959215
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
1-(4,8,13,17-tetramethylicosylcarbamoyl)piperidine-4-carboxylic acid
CID 175819564
1-[3-(3,5-dimethoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122005787

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid (CID 113450641) is 1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid is CC(C)OCCNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is NUMJXQMHATWDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(2)18-8-5-13-12(17)14-6-3-10(4-7-14)11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid?
1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 113450641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).