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

C20H33N5 — CID 111722735

IUPACN'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)N1CCN(C)CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H33N5/c1-17(24-13-11-23(3)12-14-24)15-22-20(21-2)25-10-9-19(16-25)18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3,(H,21,22)
InChIKeyCWRNASWKIVOOKS-UHFFFAOYSA-N
MW343.52 g/mol
LogP1.69
Rot. Bonds4

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

N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide (PubChem CID 111722735) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
PubChem CID111722735
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC NameN'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)N1CCN(C)CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H33N5/c1-17(24-13-11-23(3)12-14-24)15-22-20(21-2)25-10-9-19(16-25)18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3,(H,21,22)
InChIKeyCWRNASWKIVOOKS-UHFFFAOYSA-N
XLogP1.69
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenylpyrrolidine-1-carboximidamide
CID 111722685
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111742300
N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724066
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723708
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741096
N'-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724117
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722762
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722963
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111733982
N'-methyl-3-phenyl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722886
N'-methyl-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111722758

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide (CID 111722735) is N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide is C/N=C(\NCC(C)N1CCN(C)CC1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide?
The InChIKey is CWRNASWKIVOOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-17(24-13-11-23(3)12-14-24)15-22-20(21-2)25-10-9-19(16-25)18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3,(H,21,22).
What are the key properties of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide?
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide has a molecular weight of 343.52 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111722735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).