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

C15H28N2O3 — CID 63126666

IUPAC1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCN(CC)C(=O)C(C)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-15(14(19)20)8-10-17(11-9-15)12(4)13(18)16(6-2)7-3/h12H,5-11H2,1-4H3,(H,19,20)
InChIKeyNRKMBNGAKXLHJJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.82
Rot. Bonds6

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

1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63126666) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID63126666
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCN(CC)C(=O)C(C)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-15(14(19)20)8-10-17(11-9-15)12(4)13(18)16(6-2)7-3/h12H,5-11H2,1-4H3,(H,19,20)
InChIKeyNRKMBNGAKXLHJJ-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetyl-4-methylpiperidine-4-carboxylic acid
CID 19361808
1-[2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656852
1-[2-[Propyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656853
1-[2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656854
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657438
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62659713
1-[2-[Methyl(3,3,3-trifluoropropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 65538039
4-Methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid
CID 79261099
4-Ethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid
CID 79261191
1-(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 79811786
1-(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)-4-ethylpiperidine-4-carboxylic acid
CID 79812009
1-[2-[2,2-Difluoroethyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 113368524

Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid (CID 63126666) is 1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid is CCN(CC)C(=O)C(C)N1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is NRKMBNGAKXLHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-15(14(19)20)8-10-17(11-9-15)12(4)13(18)16(6-2)7-3/h12H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid?
1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).