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

C13H21N3O2 — CID 4674677

IUPAC1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2C(=NO)C3CCC2C3)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)
InChIKeyJPUYWHKKSZUNBX-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.81
Rot. Bonds2

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

1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide (PubChem CID 4674677) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
PubChem CID4674677
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2C(=NO)C3CCC2C3)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)
InChIKeyJPUYWHKKSZUNBX-UHFFFAOYSA-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'}

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Related Compounds

1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 98156699
2-[4-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]ethanol
CID 98156703
(NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 6084700
ethyl 2-[[(1S,2R,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]sulfanyl]acetate
CID 98156203
1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
CID 166069617
1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 166208494
1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide
CID 26458332
1-[(1R,2R)-2-hydroxycyclopentyl]piperidine-4-carboxamide
CID 102734306
bicyclo[3.2.0]heptane-3-carboxamide
CID 53431016
1-(1-methoxy-2-oxopropyl)piperidine-4-carboxamide
CID 57205109
4-carbamoylpiperidine-1-sulfonyl chloride
CID 16786397
1-(trideuteriomethyl)piperidine-4-carboxamide
CID 140737186

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide (CID 4674677) is 1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide is NC(=O)C1CCN(C2C(=NO)C3CCC2C3)CC1.
What is the InChIKey of 1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The InChIKey is JPUYWHKKSZUNBX-UHFFFAOYSA-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).
What are the key properties of 1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
1-(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-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide is sourced from PubChem (CID 4674677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).