N'-cyclopropyl-3-oxopiperazine-1-carboximidamide

C8H14N4O — CID 62359558

IUPACN'-cyclopropyl-3-oxopiperazine-1-carboximidamide
SMILESN/C(=N\C1CC1)N1CCNC(=O)C1
InChIInChI=1S/C8H14N4O/c9-8(11-6-1-2-6)12-4-3-10-7(13)5-12/h6H,1-5H2,(H2,9,11)(H,10,13)
InChIKeyFKTDPDNJRYMRMB-UHFFFAOYSA-N
MW182.23 g/mol
LogP-1.10
Rot. Bonds1

About N'-cyclopropyl-3-oxopiperazine-1-carboximidamide

N'-cyclopropyl-3-oxopiperazine-1-carboximidamide (PubChem CID 62359558) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N'-cyclopropyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-3-oxopiperazine-1-carboximidamide
PubChem CID62359558
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN'-cyclopropyl-3-oxopiperazine-1-carboximidamide
SMILESN/C(=N\C1CC1)N1CCNC(=O)C1
InChIInChI=1S/C8H14N4O/c9-8(11-6-1-2-6)12-4-3-10-7(13)5-12/h6H,1-5H2,(H2,9,11)(H,10,13)
InChIKeyFKTDPDNJRYMRMB-UHFFFAOYSA-N
XLogP-1.10
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N'-cyclopropyl-3-oxopiperazine-1-carboximidamide (CID 62359558) is N'-cyclopropyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N'-cyclopropyl-3-oxopiperazine-1-carboximidamide is N/C(=N\C1CC1)N1CCNC(=O)C1.
What is the InChIKey of N'-cyclopropyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is FKTDPDNJRYMRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-8(11-6-1-2-6)12-4-3-10-7(13)5-12/h6H,1-5H2,(H2,9,11)(H,10,13).
What are the key properties of N'-cyclopropyl-3-oxopiperazine-1-carboximidamide?
N'-cyclopropyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 182.23 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 62359558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).