methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate

C18H31N3O5 — CID 126483363

IUPACmethyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H31N3O5/c1-13(2)12-15(17(23)25-3)19-18(24)21-6-4-14(5-7-21)16(22)20-8-10-26-11-9-20/h13-15H,4-12H2,1-3H3,(H,19,24)/t15-/m0/s1
InChIKeyXXQSZPLQHCXIEF-HNNXBMFYSA-N
MW369.46 g/mol
LogP0.85
Rot. Bonds5

About methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate

methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate (PubChem CID 126483363) has the molecular formula C18H31N3O5 and a molecular weight of 369.46 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate
PubChem CID126483363
Molecular FormulaC18H31N3O5
Molecular Weight369.46 g/mol
Exact Mass369.23
IUPAC Namemethyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H31N3O5/c1-13(2)12-15(17(23)25-3)19-18(24)21-6-4-14(5-7-21)16(22)20-8-10-26-11-9-20/h13-15H,4-12H2,1-3H3,(H,19,24)/t15-/m0/s1
InChIKeyXXQSZPLQHCXIEF-HNNXBMFYSA-N
XLogP0.85
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate (CID 126483363) is methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate is COC(=O)[C@H](CC(C)C)NC(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate?
The InChIKey is XXQSZPLQHCXIEF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N3O5/c1-13(2)12-15(17(23)25-3)19-18(24)21-6-4-14(5-7-21)16(22)20-8-10-26-11-9-20/h13-15H,4-12H2,1-3H3,(H,19,24)/t15-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate?
methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate has a molecular weight of 369.46 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate is sourced from PubChem (CID 126483363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).