N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide

C12H20N4O3 — CID 77066461

IUPACN'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCCNC(=O)C2)CCCC1
InChIInChI=1S/C12H20N4O3/c13-10(15-19)12(4-1-2-5-12)11(18)16-7-3-6-14-9(17)8-16/h19H,1-8H2,(H2,13,15)(H,14,17)
InChIKeyUWGWJVREDYMVCP-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.36
Rot. Bonds2

About N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide

N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide (PubChem CID 77066461) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide
PubChem CID77066461
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCCNC(=O)C2)CCCC1
InChIInChI=1S/C12H20N4O3/c13-10(15-19)12(4-1-2-5-12)11(18)16-7-3-6-14-9(17)8-16/h19H,1-8H2,(H2,13,15)(H,14,17)
InChIKeyUWGWJVREDYMVCP-UHFFFAOYSA-N
XLogP-0.36
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
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

N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopropane-1-carboximidamide
CID 80594554
N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591108
N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide
CID 76919329
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one
CID 65366648
N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide
CID 77051988
N'-hydroxy-3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propanimidamide
CID 77066466
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
1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80594473
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80593908

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide (CID 77066461) is N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCCNC(=O)C2)CCCC1.
What is the InChIKey of N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide?
The InChIKey is UWGWJVREDYMVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c13-10(15-19)12(4-1-2-5-12)11(18)16-7-3-6-14-9(17)8-16/h19H,1-8H2,(H2,13,15)(H,14,17).
What are the key properties of N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide?
N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide has a molecular weight of 268.32 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide is sourced from PubChem (CID 77066461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).