(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide

C17H28N4O3 — CID 94378651

IUPAC(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)Nc2cc(C)no2)C1
InChIInChI=1S/C17H28N4O3/c1-4-6-12(2)18-17(23)14-7-5-8-21(10-14)11-15(22)19-16-9-13(3)20-24-16/h9,12,14H,4-8,10-11H2,1-3H3,(H,18,23)(H,19,22)/t12-,14-/m0/s1
InChIKeyYQLBADVIXIFKJS-JSGCOSHPSA-N
MW336.44 g/mol
LogP1.94
Rot. Bonds7

About (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide

(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide (PubChem CID 94378651) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
PubChem CID94378651
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)Nc2cc(C)no2)C1
InChIInChI=1S/C17H28N4O3/c1-4-6-12(2)18-17(23)14-7-5-8-21(10-14)11-15(22)19-16-9-13(3)20-24-16/h9,12,14H,4-8,10-11H2,1-3H3,(H,18,23)(H,19,22)/t12-,14-/m0/s1
InChIKeyYQLBADVIXIFKJS-JSGCOSHPSA-N
XLogP1.94
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444073
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51288846
methyl (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037832
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 55151558
methyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate
CID 113225035
N-(3-methyl-1,2-oxazol-5-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004520
(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94378672
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 63595182
N-(3-methyl-1,2-oxazol-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 51088987
ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate
CID 56578727
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 114395286

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide (CID 94378651) is (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide is CCC[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)Nc2cc(C)no2)C1.
What is the InChIKey of (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The InChIKey is YQLBADVIXIFKJS-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-6-12(2)18-17(23)14-7-5-8-21(10-14)11-15(22)19-16-9-13(3)20-24-16/h9,12,14H,4-8,10-11H2,1-3H3,(H,18,23)(H,19,22)/t12-,14-/m0/s1.
What are the key properties of (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94378651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).