1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid

C13H24N2O3 — CID 55100622

IUPAC1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCCN(CC)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-7-14(4-2)10-12(16)15-8-5-11(6-9-15)13(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyFGQOJMDDYSPUHC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.04
Rot. Bonds6

About 1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 55100622) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID55100622
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCCN(CC)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-7-14(4-2)10-12(16)15-8-5-11(6-9-15)13(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyFGQOJMDDYSPUHC-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656849
1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100766
1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 62657828
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103189745
1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 63285337
3-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 54899793
3-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]propanoic acid
CID 61010359
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 62658956

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid (CID 55100622) is 1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid is CCCN(CC)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is FGQOJMDDYSPUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-7-14(4-2)10-12(16)15-8-5-11(6-9-15)13(17)18/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 55100622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).