N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide

C11H16F3N3O2 — CID 80594303

IUPACN'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)7-1-5-17(6-2-7)9(18)10(3-4-10)8(15)16-19/h7,19H,1-6H2,(H2,15,16)
InChIKeyKTNUPBSRFLPFQP-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.31
Rot. Bonds2

About N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide

N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide (PubChem CID 80594303) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide
PubChem CID80594303
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)7-1-5-17(6-2-7)9(18)10(3-4-10)8(15)16-19/h7,19H,1-6H2,(H2,15,16)
InChIKeyKTNUPBSRFLPFQP-UHFFFAOYSA-N
XLogP1.31
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.31
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-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide
CID 80596829
1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
CID 80596930
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
N'-hydroxy-1-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80590861
N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
CID 80590834
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594068
N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide
CID 112747224
N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 102736850
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594475

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide (CID 80594303) is N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide?
The InChIKey is KTNUPBSRFLPFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)7-1-5-17(6-2-7)9(18)10(3-4-10)8(15)16-19/h7,19H,1-6H2,(H2,15,16).
What are the key properties of N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide?
N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide has a molecular weight of 279.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide is sourced from PubChem (CID 80594303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).