ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate

C14H23N3O5 — CID 108504251

IUPACethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)N(C=O)CCCN)CC1
InChIInChI=1S/C14H23N3O5/c1-2-22-14(21)11-4-8-16(9-5-11)12(19)13(20)17(10-18)7-3-6-15/h10-11H,2-9,15H2,1H3
InChIKeyJVOCTZDXNTYGCG-UHFFFAOYSA-N
MW313.35 g/mol
LogP-0.88
Rot. Bonds6

About ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate

ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate (PubChem CID 108504251) has the molecular formula C14H23N3O5 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
PubChem CID108504251
Molecular FormulaC14H23N3O5
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Nameethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)N(C=O)CCCN)CC1
InChIInChI=1S/C14H23N3O5/c1-2-22-14(21)11-4-8-16(9-5-11)12(19)13(20)17(10-18)7-3-6-15/h10-11H,2-9,15H2,1H3
InChIKeyJVOCTZDXNTYGCG-UHFFFAOYSA-N
XLogP-0.88
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
CID 108504238
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
CID 113312720
ethyl 1-formyloxypiperidine-4-carboxylate
CID 175375218
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate (CID 108504251) is ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(=O)N(C=O)CCCN)CC1.
What is the InChIKey of ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
The InChIKey is JVOCTZDXNTYGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5/c1-2-22-14(21)11-4-8-16(9-5-11)12(19)13(20)17(10-18)7-3-6-15/h10-11H,2-9,15H2,1H3.
What are the key properties of ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate has a molecular weight of 313.35 g/mol, XLogP of -0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 108504251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).