N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C20H39N5O — CID 111726891

IUPACN-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)N1CCCCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C20H39N5O/c1-4-21-19(22-17-20(2,3)25-9-6-5-7-10-25)24-11-8-18(16-24)23-12-14-26-15-13-23/h18H,4-17H2,1-3H3,(H,21,22)
InChIKeyPJXHDUWNKKJKDP-UHFFFAOYSA-N
MW365.57 g/mol
LogP1.62
Rot. Bonds5

About N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 111726891) has the molecular formula C20H39N5O and a molecular weight of 365.57 g/mol. Its IUPAC name is N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID111726891
Molecular FormulaC20H39N5O
Molecular Weight365.57 g/mol
Exact Mass365.32
IUPAC NameN-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)N1CCCCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C20H39N5O/c1-4-21-19(22-17-20(2,3)25-9-6-5-7-10-25)24-11-8-18(16-24)23-12-14-26-15-13-23/h18H,4-17H2,1-3H3,(H,21,22)
InChIKeyPJXHDUWNKKJKDP-UHFFFAOYSA-N
XLogP1.62
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.57
LogP ≤ 51.62
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-methyl-3-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728332
N-ethyl-N'-[2-methyl-2-(4-methylphenyl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725947
N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 119142705
N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 119156119
N-ethyl-N'-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725963
N-ethyl-N'-(oxan-2-ylmethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143124
N-ethyl-3-morpholin-4-yl-N'-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111727609
N-ethyl-N'-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111741662
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111728018
N-ethyl-N'-(oxolan-3-ylmethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143133
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728468
N'-(2-butoxyethyl)-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728652

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 111726891) is N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide is CCN/C(=N\CC(C)(C)N1CCCCC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is PJXHDUWNKKJKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O/c1-4-21-19(22-17-20(2,3)25-9-6-5-7-10-25)24-11-8-18(16-24)23-12-14-26-15-13-23/h18H,4-17H2,1-3H3,(H,21,22).
What are the key properties of N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 365.57 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111726891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).