5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid

C13H24N2O3 — CID 106740524

IUPAC5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid
SMILESCC1CC(C(=O)NC(C)CCCC(=O)O)CCN1
InChIInChI=1S/C13H24N2O3/c1-9(4-3-5-12(16)17)15-13(18)11-6-7-14-10(2)8-11/h9-11,14H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyARIMNZHELGMWOZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.13
Rot. Bonds6

About 5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid

5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid (PubChem CID 106740524) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid
PubChem CID106740524
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid
SMILESCC1CC(C(=O)NC(C)CCCC(=O)O)CCN1
InChIInChI=1S/C13H24N2O3/c1-9(4-3-5-12(16)17)15-13(18)11-6-7-14-10(2)8-11/h9-11,14H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyARIMNZHELGMWOZ-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxypentan-2-yl)-2-methylpiperidine-4-carboxamide
CID 106740348
5-(piperidine-4-carbonylamino)hexanoic acid
CID 82844939
2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 106740652
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786
5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid
CID 82846519
(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
CID 106739654
5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824579
N-[(1S)-1-cyclohexylethyl]-2-methylpiperidine-4-carboxamide
CID 106740421
3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739595
5-(azepane-2-carbonylamino)hexanoic acid
CID 82844956

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid (CID 106740524) is 5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid is CC1CC(C(=O)NC(C)CCCC(=O)O)CCN1.
What is the InChIKey of 5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid?
The InChIKey is ARIMNZHELGMWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(4-3-5-12(16)17)15-13(18)11-6-7-14-10(2)8-11/h9-11,14H,3-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid?
5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 106740524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).