1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid

C13H24N2O3 — CID 55165123

IUPAC1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCN(CC)C(=O)CN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-4-15(5-2)11(16)9-14-8-6-7-13(3,10-14)12(17)18/h4-10H2,1-3H3,(H,17,18)
InChIKeyLRNAXLRSSLEPJS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.04
Rot. Bonds5

About 1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid

1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 55165123) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID55165123
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCN(CC)C(=O)CN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-4-15(5-2)11(16)9-14-8-6-7-13(3,10-14)12(17)18/h4-10H2,1-3H3,(H,17,18)
InChIKeyLRNAXLRSSLEPJS-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137029
1-[2-(diethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125037
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
N,N-diethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728785
1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136352
1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137328
1-[2-[di(propan-2-yl)amino]-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63148071
1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid
CID 65180438
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
3-methyl-1-prop-2-ynylpiperidine-3-carboxylic acid
CID 63137152
1-(2,2-difluoroethyl)-3-methylpiperidine-3-carboxylic acid
CID 63137075
1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176812

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid (CID 55165123) is 1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid is CCN(CC)C(=O)CN1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is LRNAXLRSSLEPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-15(5-2)11(16)9-14-8-6-7-13(3,10-14)12(17)18/h4-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.04, 5 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]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55165123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).