N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide

C16H29N3O2 — CID 83046091

IUPACN'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
SMILESCCCC1CCCCN1C(=O)C1(C(N)=NO)CCCCC1
InChIInChI=1S/C16H29N3O2/c1-2-8-13-9-4-7-12-19(13)15(20)16(14(17)18-21)10-5-3-6-11-16/h13,21H,2-12H2,1H3,(H2,17,18)
InChIKeyDYAIXNGRMFYREW-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.86
Rot. Bonds4

About N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide

N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide (PubChem CID 83046091) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
PubChem CID83046091
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
SMILESCCCC1CCCCN1C(=O)C1(C(N)=NO)CCCCC1
InChIInChI=1S/C16H29N3O2/c1-2-8-13-9-4-7-12-19(13)15(20)16(14(17)18-21)10-5-3-6-11-16/h13,21H,2-12H2,1H3,(H2,17,18)
InChIKeyDYAIXNGRMFYREW-UHFFFAOYSA-N
XLogP2.86
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80596778
1-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80596852
1-[1-(N'-hydroxycarbamimidoyl)cyclohexanecarbonyl]piperidine-2-carboxamide
CID 76921367
N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80596897
1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 83056317
N'-hydroxy-1-(2-propan-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 77099107
1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 55039947
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77065268
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76939914

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide (CID 83046091) is N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide is CCCC1CCCCN1C(=O)C1(C(N)=NO)CCCCC1.
What is the InChIKey of N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide?
The InChIKey is DYAIXNGRMFYREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-8-13-9-4-7-12-19(13)15(20)16(14(17)18-21)10-5-3-6-11-16/h13,21H,2-12H2,1H3,(H2,17,18).
What are the key properties of N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide?
N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide has a molecular weight of 295.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide is sourced from PubChem (CID 83046091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).