N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide

C23H38N4O3 — CID 109402621

IUPACN'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide
SMILESCC/N=C(/NC1C2CCOC2C12CCCC2)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H38N4O3/c1-2-24-22(25-19-18-7-14-30-20(18)23(19)8-3-4-9-23)27-10-5-17(6-11-27)21(28)26-12-15-29-16-13-26/h17-20H,2-16H2,1H3,(H,24,25)
InChIKeyVHHKZNORGXXEMV-UHFFFAOYSA-N
MW418.58 g/mol
LogP1.87
Rot. Bonds3

About N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide

N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide (PubChem CID 109402621) has the molecular formula C23H38N4O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide
PubChem CID109402621
Molecular FormulaC23H38N4O3
Molecular Weight418.58 g/mol
Exact Mass418.29
IUPAC NameN'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide
SMILESCC/N=C(/NC1C2CCOC2C12CCCC2)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H38N4O3/c1-2-24-22(25-19-18-7-14-30-20(18)23(19)8-3-4-9-23)27-10-5-17(6-11-27)21(28)26-12-15-29-16-13-26/h17-20H,2-16H2,1H3,(H,24,25)
InChIKeyVHHKZNORGXXEMV-UHFFFAOYSA-N
XLogP1.87
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide?
The IUPAC name of N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide (CID 109402621) is N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide?
The canonical SMILES for N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide is CC/N=C(/NC1C2CCOC2C12CCCC2)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide?
The InChIKey is VHHKZNORGXXEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O3/c1-2-24-22(25-19-18-7-14-30-20(18)23(19)8-3-4-9-23)27-10-5-17(6-11-27)21(28)26-12-15-29-16-13-26/h17-20H,2-16H2,1H3,(H,24,25).
What are the key properties of N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide?
N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide has a molecular weight of 418.58 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 109402621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).