1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid

C12H20N2O3 — CID 114427375

IUPAC1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NC2CC2)C(C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-2-8-5-6-14(10(7-8)11(15)16)12(17)13-9-3-4-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyJPIZCBOOJRZBEA-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.43
Rot. Bonds3

About 1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid

1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114427375) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114427375
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NC2CC2)C(C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-2-8-5-6-14(10(7-8)11(15)16)12(17)13-9-3-4-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyJPIZCBOOJRZBEA-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430249
4-ethyl-1-[(2-methoxycyclopentyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430343
4-ethyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114430229
1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 106346727
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430556
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430208
1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64743536
4-ethyl-1-(4-methylsulfinylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 114430547
1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430337
1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430528

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid (CID 114427375) is 1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)NC2CC2)C(C(=O)O)C1.
What is the InChIKey of 1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is JPIZCBOOJRZBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-8-5-6-14(10(7-8)11(15)16)12(17)13-9-3-4-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114427375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).