1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide

C16H30N4O3 — CID 49444451

IUPAC1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(CC(=O)NC(=O)NCC)C1
InChIInChI=1S/C16H30N4O3/c1-4-7-12(3)18-15(22)13-8-6-9-20(10-13)11-14(21)19-16(23)17-5-2/h12-13H,4-11H2,1-3H3,(H,18,22)(H2,17,19,21,23)
InChIKeyXYATYIRLZBTZDU-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.85
Rot. Bonds7

About 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 49444451) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID49444451
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(CC(=O)NC(=O)NCC)C1
InChIInChI=1S/C16H30N4O3/c1-4-7-12(3)18-15(22)13-8-6-9-20(10-13)11-14(21)19-16(23)17-5-2/h12-13H,4-11H2,1-3H3,(H,18,22)(H2,17,19,21,23)
InChIKeyXYATYIRLZBTZDU-UHFFFAOYSA-N
XLogP0.85
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94378672
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
CID 119925446
3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid
CID 81049391
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 94378651
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444073
methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47280826
2-[(3R)-3-methylpiperidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8903288
(3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 97307433
2-(3-methylpiperidin-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 51170637
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)acetamide
CID 124744214

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide (CID 49444451) is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(CC(=O)NC(=O)NCC)C1.
What is the InChIKey of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is XYATYIRLZBTZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-4-7-12(3)18-15(22)13-8-6-9-20(10-13)11-14(21)19-16(23)17-5-2/h12-13H,4-11H2,1-3H3,(H,18,22)(H2,17,19,21,23).
What are the key properties of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide?
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 49444451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).