N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide

C24H39N5O2 — CID 111367631

IUPACN-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1c(C)cc(C)cc1C)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H39N5O2/c1-5-25-24(26-7-6-22-20(3)16-19(2)17-21(22)4)29-10-8-27(9-11-29)18-23(30)28-12-14-31-15-13-28/h16-17H,5-15,18H2,1-4H3,(H,25,26)
InChIKeyDPBIMFMRNWPFOV-UHFFFAOYSA-N
MW429.61 g/mol
LogP1.60
Rot. Bonds6

About N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide

N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide (PubChem CID 111367631) has the molecular formula C24H39N5O2 and a molecular weight of 429.61 g/mol. Its IUPAC name is N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide
PubChem CID111367631
Molecular FormulaC24H39N5O2
Molecular Weight429.61 g/mol
Exact Mass429.31
IUPAC NameN-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1c(C)cc(C)cc1C)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H39N5O2/c1-5-25-24(26-7-6-22-20(3)16-19(2)17-21(22)4)29-10-8-27(9-11-29)18-23(30)28-12-14-31-15-13-28/h16-17H,5-15,18H2,1-4H3,(H,25,26)
InChIKeyDPBIMFMRNWPFOV-UHFFFAOYSA-N
XLogP1.60
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 51.60
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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Related Compounds

N-ethyl-N'-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
CID 111367721
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
CID 111367697
N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
CID 111367709
N'-[(4-cyanophenyl)methyl]-N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide;hydroiodide
CID 111367716
4-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide
CID 111419615
N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[(4-nitrophenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111367718
N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
CID 111367585
2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774722
N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111984818
ethyl 4-[N-ethyl-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111163442
4-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide
CID 111419633

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide (CID 111367631) is N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide is CCN/C(=N\CCc1c(C)cc(C)cc1C)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide?
The InChIKey is DPBIMFMRNWPFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O2/c1-5-25-24(26-7-6-22-20(3)16-19(2)17-21(22)4)29-10-8-27(9-11-29)18-23(30)28-12-14-31-15-13-28/h16-17H,5-15,18H2,1-4H3,(H,25,26).
What are the key properties of N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide?
N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide has a molecular weight of 429.61 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111367631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).