1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid

C14H26N2O3 — CID 107071691

IUPAC1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCCCCCCNC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-4-5-6-9-15-14(19)16-10-7-8-11(2)12(16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMCRSHJOQWUXLBG-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds6

About 1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid

1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071691) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107071691
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCCCCCCNC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-4-5-6-9-15-14(19)16-10-7-8-11(2)12(16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMCRSHJOQWUXLBG-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(3-methylsulfanylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071676
1-[3-(methanesulfonamido)propylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 106340278
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
3-methyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071675
1-(but-3-ynylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071685
3-methyl-1-(2-methylsulfinylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071882
3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071854
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814
3-methyl-1-[2-(2-methylpropoxy)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 107071924
[[1-(nonylcarbamoyl)pyrrolidine-2-carbonyl]amino]methylboronic acid
CID 143689897
3-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106004384
1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071372

Frequently Asked Questions

What is the IUPAC name of 1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid (CID 107071691) is 1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid is CCCCCCNC(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is MCRSHJOQWUXLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-4-5-6-9-15-14(19)16-10-7-8-11(2)12(16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid?
1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).