1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid

C14H26N2O3 — CID 63140844

IUPAC1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(=O)NC(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-4-6-14(13(18)19)7-5-8-16(10-14)9-12(17)15-11(2)3/h11H,4-10H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyVTJJIAPOPHGSDB-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds6

About 1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid

1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 63140844) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID63140844
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(=O)NC(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-4-6-14(13(18)19)7-5-8-16(10-14)9-12(17)15-11(2)3/h11H,4-10H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyVTJJIAPOPHGSDB-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140609
3-ethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137615
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 83158038
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140743
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
1-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978783
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989
1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732
1-(but-3-yn-2-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 114418501
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140475
3-ethyl-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148957

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid (CID 63140844) is 1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(CC(=O)NC(C)C)C1.
What is the InChIKey of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is VTJJIAPOPHGSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-6-14(13(18)19)7-5-8-16(10-14)9-12(17)15-11(2)3/h11H,4-10H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid?
1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63140844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).