methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate

C13H24N2O3 — CID 5027485

IUPACmethyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)N1CCC(C)CC1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)11(12(16)18-4)14-13(17)15-7-5-10(3)6-8-15/h9-11H,5-8H2,1-4H3,(H,14,17)
InChIKeyYCYFSVSJLZKBLK-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.63
Rot. Bonds3

About methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate

methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate (PubChem CID 5027485) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
PubChem CID5027485
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)N1CCC(C)CC1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)11(12(16)18-4)14-13(17)15-7-5-10(3)6-8-15/h9-11H,5-8H2,1-4H3,(H,14,17)
InChIKeyYCYFSVSJLZKBLK-UHFFFAOYSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 79009778
methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate
CID 940643
N-[(2R)-1-aminopropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 96683106
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
N-(dicyclopropylmethyl)-4-methylpiperidine-1-carboxamide
CID 113224116
N-(1-cyanoethyl)-4-methylpiperidine-1-carboxamide
CID 79160605
methyl 3-methyl-2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]butanoate
CID 4908591
methyl (2S)-2-[[4-(4-iodophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
CID 58412987
N-(3-ethylpentan-2-yl)-4-methylpiperidine-1-carboxamide
CID 115619164
methyl (2R,3S)-2-[(4-acetylpiperazine-1-carbonyl)amino]-3-methylpentanoate
CID 92508435
N-(2-methoxypropyl)-4-methylpiperidine-1-carboxamide
CID 102697405

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate (CID 5027485) is methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate is COC(=O)C(NC(=O)N1CCC(C)CC1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate?
The InChIKey is YCYFSVSJLZKBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)11(12(16)18-4)14-13(17)15-7-5-10(3)6-8-15/h9-11H,5-8H2,1-4H3,(H,14,17).
What are the key properties of methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate?
methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate has a molecular weight of 256.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate is sourced from PubChem (CID 5027485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).