1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide

C14H25N3O2 — CID 55039947

IUPAC1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC1CCCN(C(=O)C2(/C(N)=N/O)CCCC2)C1C
InChIInChI=1S/C14H25N3O2/c1-10-6-5-9-17(11(10)2)13(18)14(12(15)16-19)7-3-4-8-14/h10-11,19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyRFKMNZWDDPQINS-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.94
Rot. Bonds2

About 1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide

1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 55039947) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID55039947
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC1CCCN(C(=O)C2(/C(N)=N/O)CCCC2)C1C
InChIInChI=1S/C14H25N3O2/c1-10-6-5-9-17(11(10)2)13(18)14(12(15)16-19)7-3-4-8-14/h10-11,19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyRFKMNZWDDPQINS-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.94
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-propan-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 77099107
1-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80596852
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77065268
1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76939914
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
1-[1-(N'-hydroxycarbamimidoyl)cyclohexanecarbonyl]piperidine-2-carboxamide
CID 76921367
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 83046091
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide
CID 76921739
N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80596778
N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80596897

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide (CID 55039947) is 1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide is CC1CCCN(C(=O)C2(/C(N)=N/O)CCCC2)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is RFKMNZWDDPQINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10-6-5-9-17(11(10)2)13(18)14(12(15)16-19)7-3-4-8-14/h10-11,19H,3-9H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 267.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 55039947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).