4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid

C14H25N3O4 — CID 63126473

IUPAC4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(=O)NC(C)C)CC1
InChIInChI=1S/C14H25N3O4/c1-4-14(12(19)20)5-7-17(8-6-14)13(21)15-9-11(18)16-10(2)3/h10H,4-9H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyCJJOENKFFGRJAT-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds5

About 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid

4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 63126473) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID63126473
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(=O)NC(C)C)CC1
InChIInChI=1S/C14H25N3O4/c1-4-14(12(19)20)5-7-17(8-6-14)13(21)15-9-11(18)16-10(2)3/h10H,4-9H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyCJJOENKFFGRJAT-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-amino-2-oxoethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126209
4-ethyl-1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 104763628
4-ethyl-1-[(1-methylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 64687060
1-[(3-amino-3-oxopropyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126588
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63127386
4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid
CID 63127141
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62215903
4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid
CID 63127376
4-ethyl-1-(thiolan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 80586532
4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 55177965

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid (CID 63126473) is 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCC(=O)NC(C)C)CC1.
What is the InChIKey of 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is CJJOENKFFGRJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-14(12(19)20)5-7-17(8-6-14)13(21)15-9-11(18)16-10(2)3/h10H,4-9H2,1-3H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63126473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).