4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid

C15H24N2O3 — CID 106232577

IUPAC4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESC#CC(CCC)NC(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-4-7-12(5-2)16-14(20)17-10-8-15(6-3,9-11-17)13(18)19/h2,12H,4,6-11H2,1,3H3,(H,16,20)(H,18,19)
InChIKeyBPZYLCACIROWLC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.07
Rot. Bonds5

About 4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid

4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 106232577) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID106232577
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESC#CC(CCC)NC(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-4-7-12(5-2)16-14(20)17-10-8-15(6-3,9-11-17)13(18)19/h2,12H,4,6-11H2,1,3H3,(H,16,20)(H,18,19)
InChIKeyBPZYLCACIROWLC-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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Tert-butylcarbamoyl)piperidine-4-carboxylic acid
CID 894285
1-[(Propan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 28512923
1-(3-Methylbutylcarbamoyl)piperidine-4-carboxylic acid
CID 28513136
1-(Butylcarbamoyl)piperidine-4-carboxylic acid
CID 16228478
4-Methyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
CID 63227462
4-Ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
CID 63227736
4-Ethyl-1-(4,4,4-trifluorobutan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 105945252
4-Methyl-1-(4,4,4-trifluorobutan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 105945253
1-(2,2-Difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
CID 113303894
1-(2,2-Difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 115408027
4-Ethyl-1-(4,4,4-trifluorobutylcarbamoyl)piperidine-4-carboxylic acid
CID 115521250
4-Methyl-1-(4,4,4-trifluorobutylcarbamoyl)piperidine-4-carboxylic acid
CID 115521293

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid (CID 106232577) is 4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid is C#CC(CCC)NC(=O)N1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is BPZYLCACIROWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-7-12(5-2)16-14(20)17-10-8-15(6-3,9-11-17)13(18)19/h2,12H,4,6-11H2,1,3H3,(H,16,20)(H,18,19).
What are the key properties of 4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid?
4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-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 4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106232577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).