1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid

C15H24N2O3 — CID 106215867

IUPAC1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid
SMILESC#CCCCCNC(=O)N1CCCC(C)(C)C1C(=O)O
InChIInChI=1S/C15H24N2O3/c1-4-5-6-7-10-16-14(20)17-11-8-9-15(2,3)12(17)13(18)19/h1,12H,5-11H2,2-3H3,(H,16,20)(H,18,19)
InChIKeyZKFAHSJPLHNRQN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.07
Rot. Bonds5

About 1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid

1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid (PubChem CID 106215867) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid
PubChem CID106215867
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid
SMILESC#CCCCCNC(=O)N1CCCC(C)(C)C1C(=O)O
InChIInChI=1S/C15H24N2O3/c1-4-5-6-7-10-16-14(20)17-11-8-9-15(2,3)12(17)13(18)19/h1,12H,5-11H2,2-3H3,(H,16,20)(H,18,19)
InChIKeyZKFAHSJPLHNRQN-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085230
3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 114085275
1-(hex-5-ynylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 106215938
1-(but-3-ynylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071685
(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106216192
(3R)-1-(pent-4-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 106222833
N-hex-5-ynyl-1-methylcyclohexane-1-carboxamide
CID 105056307
3-(hex-5-ynylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 106208698
1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085633
3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide
CID 106221816
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205
2-(hex-5-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 103829449

Frequently Asked Questions

What is the IUPAC name of 1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid (CID 106215867) is 1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid is C#CCCCCNC(=O)N1CCCC(C)(C)C1C(=O)O.
What is the InChIKey of 1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
The InChIKey is ZKFAHSJPLHNRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-5-6-7-10-16-14(20)17-11-8-9-15(2,3)12(17)13(18)19/h1,12H,5-11H2,2-3H3,(H,16,20)(H,18,19).
What are the key properties of 1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 106215867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).