4-[acetyl(methyl)amino]piperidine-1-carboxylic acid

C9H16N2O3 — CID 68806542

IUPAC4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
SMILESCC(=O)N(C)C1CCN(C(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-7(12)10(2)8-3-5-11(6-4-8)9(13)14/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyALOUHIXNGYRZCO-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.61
Rot. Bonds1

About 4-[acetyl(methyl)amino]piperidine-1-carboxylic acid

4-[acetyl(methyl)amino]piperidine-1-carboxylic acid (PubChem CID 68806542) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
PubChem CID68806542
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
SMILESCC(=O)N(C)C1CCN(C(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-7(12)10(2)8-3-5-11(6-4-8)9(13)14/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyALOUHIXNGYRZCO-UHFFFAOYSA-N
XLogP0.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide
CID 66567524
4-[methyl(propan-2-yl)amino]piperidine-1-carboxylic acid
CID 22047993
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide
CID 60605726
4-acetylpiperidine-1-carboxylic acid
CID 22135578
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide
CID 119306958
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119306959
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
CID 23369982
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 119755021
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410
N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 120590583

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[acetyl(methyl)amino]piperidine-1-carboxylic acid (CID 68806542) is 4-[acetyl(methyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[acetyl(methyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[acetyl(methyl)amino]piperidine-1-carboxylic acid is CC(=O)N(C)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[acetyl(methyl)amino]piperidine-1-carboxylic acid?
The InChIKey is ALOUHIXNGYRZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)10(2)8-3-5-11(6-4-8)9(13)14/h8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-[acetyl(methyl)amino]piperidine-1-carboxylic acid?
4-[acetyl(methyl)amino]piperidine-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68806542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).