ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate

C17H31N3O4 — CID 8912923

IUPACethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@H](C)N(C)CC(=O)NC(C)C)CC1
InChIInChI=1S/C17H31N3O4/c1-6-24-17(23)14-7-9-20(10-8-14)16(22)13(4)19(5)11-15(21)18-12(2)3/h12-14H,6-11H2,1-5H3,(H,18,21)/t13-/m0/s1
InChIKeyLKZKXFCYNUKROJ-ZDUSSCGKSA-N
MW341.45 g/mol
LogP0.63
Rot. Bonds7

About ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate

ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate (PubChem CID 8912923) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate
PubChem CID8912923
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Nameethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@H](C)N(C)CC(=O)NC(C)C)CC1
InChIInChI=1S/C17H31N3O4/c1-6-24-17(23)14-7-9-20(10-8-14)16(22)13(4)19(5)11-15(21)18-12(2)3/h12-14H,6-11H2,1-5H3,(H,18,21)/t13-/m0/s1
InChIKeyLKZKXFCYNUKROJ-ZDUSSCGKSA-N
XLogP0.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate
CID 8912920
ethyl 1-[(2S)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoyl]piperidine-4-carboxylate
CID 8785410
ethyl 1-[(2R)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoyl]piperidine-4-carboxylate
CID 8813448
2-[[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 9049698
ethyl 1-[(2R)-2-chloropropanoyl]piperidine-4-carboxylate
CID 7063284
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267
ethyl 1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanoyl]piperidine-3-carboxylate
CID 55525439
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 4-[methylsulfonyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 113152648
ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate
CID 42698668
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate (CID 8912923) is ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)[C@H](C)N(C)CC(=O)NC(C)C)CC1.
What is the InChIKey of ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate?
The InChIKey is LKZKXFCYNUKROJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-6-24-17(23)14-7-9-20(10-8-14)16(22)13(4)19(5)11-15(21)18-12(2)3/h12-14H,6-11H2,1-5H3,(H,18,21)/t13-/m0/s1.
What are the key properties of ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate has a molecular weight of 341.45 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 8912923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).