N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C18H36N6O — CID 111725819

IUPACN'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)N1CCN(C)CC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C18H36N6O/c1-16(22-8-6-21(3)7-9-22)14-20-18(19-2)24-5-4-17(15-24)23-10-12-25-13-11-23/h16-17H,4-15H2,1-3H3,(H,19,20)
InChIKeyCMIZOXZQKGYPFF-UHFFFAOYSA-N
MW352.53 g/mol
LogP-0.40
Rot. Bonds4

About N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 111725819) has the molecular formula C18H36N6O and a molecular weight of 352.53 g/mol. Its IUPAC name is N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID111725819
Molecular FormulaC18H36N6O
Molecular Weight352.53 g/mol
Exact Mass352.30
IUPAC NameN'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)N1CCN(C)CC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C18H36N6O/c1-16(22-8-6-21(3)7-9-22)14-20-18(19-2)24-5-4-17(15-24)23-10-12-25-13-11-23/h16-17H,4-15H2,1-3H3,(H,19,20)
InChIKeyCMIZOXZQKGYPFF-UHFFFAOYSA-N
XLogP-0.40
TPSA46.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 5-0.40
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'}

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Related Compounds

N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725741
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725740
N'-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728613
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728063
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726723
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726338
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728062
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727784
N'-methyl-N-(4-methylpentyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726361
N-ethyl-N'-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727978
N-(3-ethyl-2-pyrrolidin-1-ylpentyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727783
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111733982

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 111725819) is N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is C/N=C(\NCC(C)N1CCN(C)CC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is CMIZOXZQKGYPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O/c1-16(22-8-6-21(3)7-9-22)14-20-18(19-2)24-5-4-17(15-24)23-10-12-25-13-11-23/h16-17H,4-15H2,1-3H3,(H,19,20).
What are the key properties of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 352.53 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111725819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).