1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid

C14H26N2O3 — CID 55176812

IUPAC1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCN(CC)C(=O)CN1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-4-14(13(18)19)7-9-15(10-8-14)11-12(17)16(5-2)6-3/h4-11H2,1-3H3,(H,18,19)
InChIKeyMOSHSAHSARKVOA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.43
Rot. Bonds6

About 1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid

1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 55176812) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID55176812
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCN(CC)C(=O)CN1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-4-14(13(18)19)7-9-15(10-8-14)11-12(17)16(5-2)6-3/h4-11H2,1-3H3,(H,18,19)
InChIKeyMOSHSAHSARKVOA-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(diethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125037
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid
CID 63126160
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
1-[2-(azetidin-1-yl)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176425
N,N-diethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728785
1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid
CID 63126666
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126585
1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 55165123
3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43397033
4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
CID 63126221
1-[2-(dipropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125080

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid (CID 55176812) is 1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid is CCN(CC)C(=O)CN1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is MOSHSAHSARKVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(13(18)19)7-9-15(10-8-14)11-12(17)16(5-2)6-3/h4-11H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid?
1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 55176812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).