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

C14H25N3O4 — CID 63136352

IUPAC1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCN(CC(=O)N(C)C)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-5-16(9-11(18)15(3)4)13(21)17-8-6-7-14(2,10-17)12(19)20/h5-10H2,1-4H3,(H,19,20)
InChIKeyJOOKPBBHSWMICE-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.70
Rot. Bonds4

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

1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136352) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63136352
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCN(CC(=O)N(C)C)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-5-16(9-11(18)15(3)4)13(21)17-8-6-7-14(2,10-17)12(19)20/h5-10H2,1-4H3,(H,19,20)
InChIKeyJOOKPBBHSWMICE-UHFFFAOYSA-N
XLogP0.70
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 63136057
3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135754
1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135703
1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 55165123
1-[1-cyanopropan-2-yl(methyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63228492
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137029
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658695
N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 54948205
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124064
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid (CID 63136352) is 1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid is CCN(CC(=O)N(C)C)C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is JOOKPBBHSWMICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-5-16(9-11(18)15(3)4)13(21)17-8-6-7-14(2,10-17)12(19)20/h5-10H2,1-4H3,(H,19,20).
What are the key properties of 1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).