1-butanoyl-2-methylpiperidine-4-carboxylic acid

C11H19NO3 — CID 106741752

IUPAC1-butanoyl-2-methylpiperidine-4-carboxylic acid
SMILESCCCC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H19NO3/c1-3-4-10(13)12-6-5-9(11(14)15)7-8(12)2/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyBVTIYOOQGSWRQD-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds3

About 1-butanoyl-2-methylpiperidine-4-carboxylic acid

1-butanoyl-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741752) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-butanoyl-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-butanoyl-2-methylpiperidine-4-carboxylic acid
PubChem CID106741752
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-butanoyl-2-methylpiperidine-4-carboxylic acid
SMILESCCCC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H19NO3/c1-3-4-10(13)12-6-5-9(11(14)15)7-8(12)2/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyBVTIYOOQGSWRQD-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid
CID 106742221
1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742115
1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106741697
2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid
CID 106743021
1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106743882
1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744370
1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 107273458
1-(2,2-difluoroacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742109
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106741905
1-[3-(3-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742921
2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid
CID 106741827
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-butanoyl-2-methylpiperidine-4-carboxylic acid (CID 106741752) is 1-butanoyl-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-butanoyl-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-butanoyl-2-methylpiperidine-4-carboxylic acid is CCCC(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-butanoyl-2-methylpiperidine-4-carboxylic acid?
The InChIKey is BVTIYOOQGSWRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-4-10(13)12-6-5-9(11(14)15)7-8(12)2/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-butanoyl-2-methylpiperidine-4-carboxylic acid?
1-butanoyl-2-methylpiperidine-4-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).