1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid

C14H26N2O4 — CID 63127386

IUPAC1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCOCC(C)NC(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-4-14(12(17)18)6-8-16(9-7-14)13(19)15-11(3)10-20-5-2/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBFPNOPIHBOOYMD-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds6

About 1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid

1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63127386) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID63127386
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCOCC(C)NC(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-4-14(12(17)18)6-8-16(9-7-14)13(19)15-11(3)10-20-5-2/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBFPNOPIHBOOYMD-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-[(1-methylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 64687060
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63126473
3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62210649
4-ethyl-1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 104763628
4-ethyl-1-(hex-1-yn-3-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106232577
4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 63127397
1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid
CID 114278573
1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 64605109
3-ethyl-1-[1-(furan-2-yl)propan-2-ylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147179
1-[(2-amino-2-oxoethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126209
4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 55177965
3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136060

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid (CID 63127386) is 1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid is CCOCC(C)NC(=O)N1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is BFPNOPIHBOOYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-14(12(17)18)6-8-16(9-7-14)13(19)15-11(3)10-20-5-2/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid?
1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63127386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).