N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C25H41N5O — CID 111726141

IUPACN-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1CN1CCCC(C)C1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C25H41N5O/c1-3-26-25(30-12-10-24(20-30)29-13-15-31-16-14-29)27-17-22-8-4-5-9-23(22)19-28-11-6-7-21(2)18-28/h4-5,8-9,21,24H,3,6-7,10-20H2,1-2H3,(H,26,27)
InChIKeyBGXJNSGRQOKMKH-UHFFFAOYSA-N
MW427.64 g/mol
LogP2.79
Rot. Bonds6

About N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 111726141) has the molecular formula C25H41N5O and a molecular weight of 427.64 g/mol. Its IUPAC name is N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID111726141
Molecular FormulaC25H41N5O
Molecular Weight427.64 g/mol
Exact Mass427.33
IUPAC NameN-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1CN1CCCC(C)C1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C25H41N5O/c1-3-26-25(30-12-10-24(20-30)29-13-15-31-16-14-29)27-17-22-8-4-5-9-23(22)19-28-11-6-7-21(2)18-28/h4-5,8-9,21,24H,3,6-7,10-20H2,1-2H3,(H,26,27)
InChIKeyBGXJNSGRQOKMKH-UHFFFAOYSA-N
XLogP2.79
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 52.79
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-3-morpholin-4-yl-N'-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111727609
N-ethyl-3-morpholin-4-yl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111726854
N-ethyl-N'-[[2-(methoxymethyl)phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726109
N-ethyl-3-morpholin-4-yl-N'-[(2-nitrophenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111726810
N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111047450
N-ethyl-3-morpholin-4-yl-N'-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111727370
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111145326
N-ethyl-3-morpholin-4-yl-N'-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111727371
N'-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726492
N-ethyl-N'-[(4-fluorophenyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728046
1-ethyl-3-[4-(3-methylpiperidin-1-yl)butyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111375660
N-ethyl-N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142716

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 111726141) is N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccccc1CN1CCCC(C)C1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is BGXJNSGRQOKMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O/c1-3-26-25(30-12-10-24(20-30)29-13-15-31-16-14-29)27-17-22-8-4-5-9-23(22)19-28-11-6-7-21(2)18-28/h4-5,8-9,21,24H,3,6-7,10-20H2,1-2H3,(H,26,27).
What are the key properties of N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 427.64 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111726141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).