1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid

C15H27NO3 — CID 122112693

IUPAC1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
SMILESCCC(CC)C(C)C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H27NO3/c1-5-12(6-2)11(4)14(17)16-9-13(15(18)19)8-7-10(16)3/h10-13H,5-9H2,1-4H3,(H,18,19)
InChIKeyYKGAMBNLVGVHMA-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.77
Rot. Bonds5

About 1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid

1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122112693) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122112693
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
SMILESCCC(CC)C(C)C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H27NO3/c1-5-12(6-2)11(4)14(17)16-9-13(15(18)19)8-7-10(16)3/h10-13H,5-9H2,1-4H3,(H,18,19)
InChIKeyYKGAMBNLVGVHMA-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(3R,6S)-1-[(tert-butoxy)carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 66739888
1-(2,2-Dimethylpropanoyl)piperidine-3-carboxylic acid
CID 16228559
6-Oxo-1-(propan-2-yl)piperidine-3-carboxylic acid
CID 44827690
2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]acetic acid
CID 11912379
2-[(3R,4S)-3-[2-(diethylamino)ethyl]-1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
CID 28959537
1-(2-Methylbutanoyl)piperidine-3-carboxylic acid
CID 16794986
1-Butanoylpiperidine-3-carboxylic acid
CID 20118758
2-[(Tert-butoxy)carbonyl]-2-azabicyclo[3.1.1]heptane-4-carboxylic acid
CID 165704210
2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetic acid
CID 7673433
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]acetic acid
CID 11912074
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid
CID 25312552
cis-6-Methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
CID 66739886

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid (CID 122112693) is 1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid is CCC(CC)C(C)C(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is YKGAMBNLVGVHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-12(6-2)11(4)14(17)16-9-13(15(18)19)8-7-10(16)3/h10-13H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid?
1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122112693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).