3-(azidomethyl)-3-methanimidoylpiperidin-4-one

C7H11N5O — CID 121325999

IUPAC3-(azidomethyl)-3-methanimidoylpiperidin-4-one
SMILES[H]/N=C/C1(CN=[N+]=[N-])CNCCC1=O
InChIInChI=1S/C7H11N5O/c8-3-7(5-11-12-9)4-10-2-1-6(7)13/h3,8,10H,1-2,4-5H2/b8-3+
InChIKeyPVHJDHRTNVRGGW-FPYGCLRLSA-N
MW181.20 g/mol
LogP0.50
Rot. Bonds3

About 3-(azidomethyl)-3-methanimidoylpiperidin-4-one

3-(azidomethyl)-3-methanimidoylpiperidin-4-one (PubChem CID 121325999) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-(azidomethyl)-3-methanimidoylpiperidin-4-one.

Molecular Properties

Compound Name3-(azidomethyl)-3-methanimidoylpiperidin-4-one
PubChem CID121325999
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name3-(azidomethyl)-3-methanimidoylpiperidin-4-one
SMILES[H]/N=C/C1(CN=[N+]=[N-])CNCCC1=O
InChIInChI=1S/C7H11N5O/c8-3-7(5-11-12-9)4-10-2-1-6(7)13/h3,8,10H,1-2,4-5H2/b8-3+
InChIKeyPVHJDHRTNVRGGW-FPYGCLRLSA-N
XLogP0.50
TPSA101.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-(azidomethyl)-3-methanimidoylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one
CID 132547144
3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate
CID 174792112
5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one
CID 118272400
4-(3-azidopropyl)piperazine-2,6-dione
CID 66084230
(3aR,7aR)-7a-(azidomethyl)-2,2-dimethyl-4,5,6,7-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 118329687
4-(azidomethylidene)piperidine
CID 150039255
4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine
CID 142628210
2-(azidomethyl)-2,3-dimethyloxirane
CID 118438961
(3S,5R)-3-(azidomethyl)-2-oxa-9-azaspiro[4.5]decane
CID 125455222
methyl 1-(azidomethyl)cyclopropane-1-carboxylate
CID 129243283
3-(2-azidoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61396486
4-(azidomethyl)oxan-4-ol
CID 15313358

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-3-methanimidoylpiperidin-4-one?
The IUPAC name of 3-(azidomethyl)-3-methanimidoylpiperidin-4-one (CID 121325999) is 3-(azidomethyl)-3-methanimidoylpiperidin-4-one.
What is the SMILES notation for 3-(azidomethyl)-3-methanimidoylpiperidin-4-one?
The canonical SMILES for 3-(azidomethyl)-3-methanimidoylpiperidin-4-one is [H]/N=C/C1(CN=[N+]=[N-])CNCCC1=O.
What is the InChIKey of 3-(azidomethyl)-3-methanimidoylpiperidin-4-one?
The InChIKey is PVHJDHRTNVRGGW-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H11N5O/c8-3-7(5-11-12-9)4-10-2-1-6(7)13/h3,8,10H,1-2,4-5H2/b8-3+.
What are the key properties of 3-(azidomethyl)-3-methanimidoylpiperidin-4-one?
3-(azidomethyl)-3-methanimidoylpiperidin-4-one has a molecular weight of 181.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-3-methanimidoylpiperidin-4-one is sourced from PubChem (CID 121325999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).