1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide

C15H28N4O2 — CID 76921074

IUPAC1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC(C)(C)N1CCN(C(=O)C2(C(N)=NO)CCCC2)CC1
InChIInChI=1S/C15H28N4O2/c1-14(2,3)19-10-8-18(9-11-19)13(20)15(12(16)17-21)6-4-5-7-15/h21H,4-11H2,1-3H3,(H2,16,17)
InChIKeyRVIMYOXBFPMSDJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.24
Rot. Bonds2

About 1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide

1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 76921074) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID76921074
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC(C)(C)N1CCN(C(=O)C2(C(N)=NO)CCCC2)CC1
InChIInChI=1S/C15H28N4O2/c1-14(2,3)19-10-8-18(9-11-19)13(20)15(12(16)17-21)6-4-5-7-15/h21H,4-11H2,1-3H3,(H2,16,17)
InChIKeyRVIMYOXBFPMSDJ-UHFFFAOYSA-N
XLogP1.24
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80593908
N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide
CID 80597473
1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide
CID 77016550
N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide
CID 77051988
N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
CID 104937510
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 76921050
N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
CID 77024798

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide (CID 76921074) is 1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide is CC(C)(C)N1CCN(C(=O)C2(C(N)=NO)CCCC2)CC1.
What is the InChIKey of 1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is RVIMYOXBFPMSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-14(2,3)19-10-8-18(9-11-19)13(20)15(12(16)17-21)6-4-5-7-15/h21H,4-11H2,1-3H3,(H2,16,17).
What are the key properties of 1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 296.41 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 76921074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).