4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid

C14H26N2O4 — CID 63127376

IUPAC4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCCCCOC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-14(12(17)18)6-9-16(10-7-14)13(19)15-8-4-5-11-20-2/h3-11H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyIZVDDRFICZPTMW-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds7

About 4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid

4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 63127376) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID63127376
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCCCCOC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-14(12(17)18)6-9-16(10-7-14)13(19)15-8-4-5-11-20-2/h3-11H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyIZVDDRFICZPTMW-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid
CID 63127141
4-ethyl-1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 104763628
1-[(3-amino-3-oxopropyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126588
1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63149085
3-ethyl-1-(4-methylsulfanylbutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 113488071
1-[(2-amino-2-oxoethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126209
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63148190
1-[(4-methoxybutylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451502
3-ethyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114469382
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63126473
1-[3-(methylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149331

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid (CID 63127376) is 4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCCCCOC)CC1.
What is the InChIKey of 4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is IZVDDRFICZPTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-14(12(17)18)6-9-16(10-7-14)13(19)15-8-4-5-11-20-2/h3-11H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid?
4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63127376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).