N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide

C14H24N4O3 — CID 77051988

IUPACN'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide
SMILESCN1CCN(C(=O)C2(C(N)=NO)CCCCCC2)CC1=O
InChIInChI=1S/C14H24N4O3/c1-17-8-9-18(10-11(17)19)13(20)14(12(15)16-21)6-4-2-3-5-7-14/h21H,2-10H2,1H3,(H2,15,16)
InChIKeyVUETYALOKYFALZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.37
Rot. Bonds2

About N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide

N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide (PubChem CID 77051988) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide
PubChem CID77051988
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide
SMILESCN1CCN(C(=O)C2(C(N)=NO)CCCCCC2)CC1=O
InChIInChI=1S/C14H24N4O3/c1-17-8-9-18(10-11(17)19)13(20)14(12(15)16-21)6-4-2-3-5-7-14/h21H,2-10H2,1H3,(H2,15,16)
InChIKeyVUETYALOKYFALZ-UHFFFAOYSA-N
XLogP0.37
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.37
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide (CID 77051988) is N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide is CN1CCN(C(=O)C2(C(N)=NO)CCCCCC2)CC1=O.
What is the InChIKey of N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide?
The InChIKey is VUETYALOKYFALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-17-8-9-18(10-11(17)19)13(20)14(12(15)16-21)6-4-2-3-5-7-14/h21H,2-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide?
N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide has a molecular weight of 296.37 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide is sourced from PubChem (CID 77051988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).