ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate

C10H19FN4O3 — CID 58902813

IUPACethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CNC(=O)NN)C(F)C1
InChIInChI=1S/C10H19FN4O3/c1-2-18-10(17)15-4-3-7(8(11)6-15)5-13-9(16)14-12/h7-8H,2-6,12H2,1H3,(H2,13,14,16)
InChIKeyDCNLQNNTYZCRAL-UHFFFAOYSA-N
MW262.28 g/mol
LogP-0.02
Rot. Bonds3

About ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate

ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate (PubChem CID 58902813) has the molecular formula C10H19FN4O3 and a molecular weight of 262.28 g/mol. Its IUPAC name is ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate
PubChem CID58902813
Molecular FormulaC10H19FN4O3
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Nameethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CNC(=O)NN)C(F)C1
InChIInChI=1S/C10H19FN4O3/c1-2-18-10(17)15-4-3-7(8(11)6-15)5-13-9(16)14-12/h7-8H,2-6,12H2,1H3,(H2,13,14,16)
InChIKeyDCNLQNNTYZCRAL-UHFFFAOYSA-N
XLogP-0.02
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)methyl 4-[(aminocarbamothioylamino)methyl]-3-fluoropiperidine-1-carboxylate
CID 76581180
(4-methylphenyl)methyl (3S,4R)-4-[(aminocarbamothioylamino)methyl]-3-fluoropiperidine-1-carboxylate
CID 131727639
ethyl (3S,4S)-4-cyano-3-fluoropiperidine-1-carboxylate
CID 105452685
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 59145083
(4-methylphenyl)methyl (3S,4R)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
CID 59705396
ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
CID 114506999
(4-methylphenyl)methyl 4-(aminomethyl)-3-fluoropiperidine-1-carboxylate;hydrochloride
CID 121415318
ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 54237477
ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
tert-butyl (3R,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 170554641

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate (CID 58902813) is ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CNC(=O)NN)C(F)C1.
What is the InChIKey of ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate?
The InChIKey is DCNLQNNTYZCRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN4O3/c1-2-18-10(17)15-4-3-7(8(11)6-15)5-13-9(16)14-12/h7-8H,2-6,12H2,1H3,(H2,13,14,16).
What are the key properties of ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate?
ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate has a molecular weight of 262.28 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-4-[(hydrazinecarbonylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58902813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).