1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide

C13H21N3O2 — CID 98156699

IUPAC1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN([C@@H]2/C(=N\O)[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C13H21N3O2/c14-13(17)8-3-5-16(6-4-8)12-10-2-1-9(7-10)11(12)15-18/h8-10,12,18H,1-7H2,(H2,14,17)/b15-11-/t9-,10-,12-/m0/s1
InChIKeyJPUYWHKKSZUNBX-RKBIHRKESA-N
MW251.33 g/mol
LogP0.81
Rot. Bonds2

About 1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide

1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide (PubChem CID 98156699) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
PubChem CID98156699
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN([C@@H]2/C(=N\O)[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C13H21N3O2/c14-13(17)8-3-5-16(6-4-8)12-10-2-1-9(7-10)11(12)15-18/h8-10,12,18H,1-7H2,(H2,14,17)/b15-11-/t9-,10-,12-/m0/s1
InChIKeyJPUYWHKKSZUNBX-RKBIHRKESA-N
XLogP0.81
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide (CID 98156699) is 1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide is NC(=O)C1CCN([C@@H]2/C(=N\O)[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide?
The InChIKey is JPUYWHKKSZUNBX-RKBIHRKESA-N. The full InChI is InChI=1S/C13H21N3O2/c14-13(17)8-3-5-16(6-4-8)12-10-2-1-9(7-10)11(12)15-18/h8-10,12,18H,1-7H2,(H2,14,17)/b15-11-/t9-,10-,12-/m0/s1.
What are the key properties of 1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide?
1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide is sourced from PubChem (CID 98156699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).