ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate

C9H16N4O3 — CID 3915088

IUPACethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(N)=O)CC1
InChIInChI=1S/C9H16N4O3/c1-2-16-9(15)13-5-3-7(4-6-13)11-12-8(10)14/h2-6H2,1H3,(H3,10,12,14)
InChIKeyRGRQPZPNACZVJX-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.26
Rot. Bonds2

About ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate

ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate (PubChem CID 3915088) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate
PubChem CID3915088
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Nameethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(N)=O)CC1
InChIInChI=1S/C9H16N4O3/c1-2-16-9(15)13-5-3-7(4-6-13)11-12-8(10)14/h2-6H2,1H3,(H3,10,12,14)
InChIKeyRGRQPZPNACZVJX-UHFFFAOYSA-N
XLogP0.26
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate (CID 3915088) is ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate is CCOC(=O)N1CCC(=NNC(N)=O)CC1.
What is the InChIKey of ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate?
The InChIKey is RGRQPZPNACZVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-2-16-9(15)13-5-3-7(4-6-13)11-12-8(10)14/h2-6H2,1H3,(H3,10,12,14).
What are the key properties of ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate?
ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate is sourced from PubChem (CID 3915088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).