methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate

C17H31N3O4 — CID 56807095

IUPACmethyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate
SMILESCOC(=O)C(CNC(=O)C1CCCN(C(=O)N(C)C)C1)CC(C)C
InChIInChI=1S/C17H31N3O4/c1-12(2)9-14(16(22)24-5)10-18-15(21)13-7-6-8-20(11-13)17(23)19(3)4/h12-14H,6-11H2,1-5H3,(H,18,21)
InChIKeyLSOKKBXBPHHHCC-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.33
Rot. Bonds6

About methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate

methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate (PubChem CID 56807095) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate
PubChem CID56807095
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Namemethyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate
SMILESCOC(=O)C(CNC(=O)C1CCCN(C(=O)N(C)C)C1)CC(C)C
InChIInChI=1S/C17H31N3O4/c1-12(2)9-14(16(22)24-5)10-18-15(21)13-7-6-8-20(11-13)17(23)19(3)4/h12-14H,6-11H2,1-5H3,(H,18,21)
InChIKeyLSOKKBXBPHHHCC-UHFFFAOYSA-N
XLogP1.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate?
The IUPAC name of methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate (CID 56807095) is methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate is COC(=O)C(CNC(=O)C1CCCN(C(=O)N(C)C)C1)CC(C)C.
What is the InChIKey of methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate?
The InChIKey is LSOKKBXBPHHHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-12(2)9-14(16(22)24-5)10-18-15(21)13-7-6-8-20(11-13)17(23)19(3)4/h12-14H,6-11H2,1-5H3,(H,18,21).
What are the key properties of methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate?
methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate has a molecular weight of 341.45 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate is sourced from PubChem (CID 56807095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).