1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid

C15H26N2O5 — CID 20761262

IUPAC1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC(C)(C)C(=O)OCCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26N2O5/c1-4-15(2,3)13(20)22-10-7-16-14(21)17-8-5-11(6-9-17)12(18)19/h11H,4-10H2,1-3H3,(H,16,21)(H,18,19)
InChIKeyKTVMUQHCVADPCJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.47
Rot. Bonds6

About 1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 20761262) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID20761262
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC(C)(C)C(=O)OCCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26N2O5/c1-4-15(2,3)13(20)22-10-7-16-14(21)17-8-5-11(6-9-17)12(18)19/h11H,4-10H2,1-3H3,(H,16,21)(H,18,19)
InChIKeyKTVMUQHCVADPCJ-UHFFFAOYSA-N
XLogP1.47
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methylbutylcarbamoyl)piperidine-4-carboxylic acid
CID 28513136
1-(Butylcarbamoyl)piperidine-4-carboxylic acid
CID 16228478
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 63832650
4-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 63834776
3-Methoxy-4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 103159565
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 105919047
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 105919222
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 105919237
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 105919239
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744324
1-[2-(Trifluoromethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122011440
1-[2-(2,2,3,3-Tetrafluoropropoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122011921

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 20761262) is 1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid is CCC(C)(C)C(=O)OCCNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is KTVMUQHCVADPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-4-15(2,3)13(20)22-10-7-16-14(21)17-8-5-11(6-9-17)12(18)19/h11H,4-10H2,1-3H3,(H,16,21)(H,18,19).
What are the key properties of 1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 20761262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).