4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid

C14H27N3O3 — CID 63127141

IUPAC4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCNCCCNC(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-3-14(12(18)19)6-10-17(11-7-14)13(20)16-9-5-8-15-4-2/h15H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLGCOJTURGFRPCS-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds7

About 4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid

4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 63127141) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID63127141
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCNCCCNC(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-3-14(12(18)19)6-10-17(11-7-14)13(20)16-9-5-8-15-4-2/h15H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLGCOJTURGFRPCS-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
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-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid
CID 63127376
1-[(3-amino-3-oxopropyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126588
4-ethyl-1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 104763628
1-[(2-amino-2-oxoethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126209
1-[3-(methylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149331
3-ethyl-1-(4-methylsulfanylbutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 113488071
3-ethyl-1-[3-(ethylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63145001
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63126473
4-ethyl-1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylic acid
CID 55177384
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 55177965
4-ethyl-1-[(1-methylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 64687060

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid (CID 63127141) is 4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid is CCNCCCNC(=O)N1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is LGCOJTURGFRPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-14(12(18)19)6-10-17(11-7-14)13(20)16-9-5-8-15-4-2/h15H,3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63127141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).