N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide

C23H37N5O3 — CID 111167353

IUPACN-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1(N2CCOCC2)CCCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H37N5O3/c1-2-24-22(27-12-10-26(11-13-27)21(29)20-7-6-16-31-20)25-19-23(8-4-3-5-9-23)28-14-17-30-18-15-28/h6-7,16H,2-5,8-15,17-19H2,1H3,(H,24,25)
InChIKeyUNNSHXBZXRYJPZ-UHFFFAOYSA-N
MW431.58 g/mol
LogP2.04
Rot. Bonds5

About N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide

N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide (PubChem CID 111167353) has the molecular formula C23H37N5O3 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide
PubChem CID111167353
Molecular FormulaC23H37N5O3
Molecular Weight431.58 g/mol
Exact Mass431.29
IUPAC NameN-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1(N2CCOCC2)CCCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H37N5O3/c1-2-24-22(27-12-10-26(11-13-27)21(29)20-7-6-16-31-20)25-19-23(8-4-3-5-9-23)28-14-17-30-18-15-28/h6-7,16H,2-5,8-15,17-19H2,1H3,(H,24,25)
InChIKeyUNNSHXBZXRYJPZ-UHFFFAOYSA-N
XLogP2.04
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide with MolForge

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Related Compounds

N-ethyl-4-(furan-2-carbonyl)-N'-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111497354
N-[2-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111003775
N-ethyl-4-(furan-2-carbonyl)-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111167237
N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide
CID 111167319
N-ethyl-4-(furan-2-carbonyl)-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 111168751
N'-(2,2-dimethylpropyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119130492
N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide
CID 111166041
N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300884
N'-[[3-(dimethylamino)thiolan-3-yl]methyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119156821
N'-(2-cyclohexylethyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111167054
N-ethyl-4-(furan-2-carbonyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111166993
N-ethyl-4-(furan-2-carbonyl)-N'-(3-phenylpropyl)piperazine-1-carboximidamide
CID 111166833

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide (CID 111167353) is N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide is CCN/C(=N\CC1(N2CCOCC2)CCCCC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide?
The InChIKey is UNNSHXBZXRYJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O3/c1-2-24-22(27-12-10-26(11-13-27)21(29)20-7-6-16-31-20)25-19-23(8-4-3-5-9-23)28-14-17-30-18-15-28/h6-7,16H,2-5,8-15,17-19H2,1H3,(H,24,25).
What are the key properties of N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide?
N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide has a molecular weight of 431.58 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111167353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).