ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate

C15H27N3O3 — CID 90871660

IUPACethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCCC/N=C(\C)N)CC1
InChIInChI=1S/C15H27N3O3/c1-3-21-15(20)13-7-10-18(11-8-13)14(19)6-4-5-9-17-12(2)16/h13H,3-11H2,1-2H3,(H2,16,17)
InChIKeyFRRDVKFOISLIRU-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.34
Rot. Bonds7

About ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate

ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate (PubChem CID 90871660) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate
PubChem CID90871660
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nameethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCCC/N=C(\C)N)CC1
InChIInChI=1S/C15H27N3O3/c1-3-21-15(20)13-7-10-18(11-8-13)14(19)6-4-5-9-17-12(2)16/h13H,3-11H2,1-2H3,(H2,16,17)
InChIKeyFRRDVKFOISLIRU-UHFFFAOYSA-N
XLogP1.34
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Ethyl 1-[5-(diaminomethylideneamino)pentanoyl]piperidine-4-carboxylate
CID 68230742
ethyl 1-[5-[(N'-methylcarbamimidoyl)amino]pentanoyl]piperidine-4-carboxylate
CID 91416573
Ethyl 1-(5-aminopentanoyl)piperidine-4-carboxylate
CID 64058406
Ethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate
CID 81071015
Ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate
CID 82016940
Ethyl 1-(3-amino-3-iminopropanoyl)piperidine-4-carboxylate
CID 99990447
Ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate
CID 104683579

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate (CID 90871660) is ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCCC/N=C(\C)N)CC1.
What is the InChIKey of ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate?
The InChIKey is FRRDVKFOISLIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-21-15(20)13-7-10-18(11-8-13)14(19)6-4-5-9-17-12(2)16/h13H,3-11H2,1-2H3,(H2,16,17).
What are the key properties of ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate?
ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(1-aminoethylideneamino)pentanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 90871660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).