1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid

C13H22N2O3 — CID 43569525

IUPAC1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C1CC1)N(C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-9(10-3-4-10)14(2)13(18)15-7-5-11(6-8-15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyZPPFFLLUEMKJGW-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.63
Rot. Bonds3

About 1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid

1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 43569525) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID43569525
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C1CC1)N(C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-9(10-3-4-10)14(2)13(18)15-7-5-11(6-8-15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyZPPFFLLUEMKJGW-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 43570510
4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782964
1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60857965
1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61202504
2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500513
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
N-[(1R)-1-cyclopropylethyl]-N-methylcyclopropanecarboxamide
CID 52519617
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
piperidine-1,4-dicarboxylic acid
CID 18542445
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43570509
1-(1-cyclopropylethyl)-1-methylurea
CID 43420591
N-[(1S)-1-cyclopropylethyl]-N-methylcyclopentanecarboxamide
CID 52522891

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid (CID 43569525) is 1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid is CC(C1CC1)N(C)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is ZPPFFLLUEMKJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(10-3-4-10)14(2)13(18)15-7-5-11(6-8-15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid?
1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43569525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).