1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine

C23H39N5O2 — CID 111924765

IUPAC1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
SMILESC/N=C(\NCC(C)N1CCC(C)CC1)NC1CCN(c2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C23H39N5O2/c1-17-6-9-27(10-7-17)18(2)15-25-23(24-3)26-19-8-11-28(16-19)20-12-21(29-4)14-22(13-20)30-5/h12-14,17-19H,6-11,15-16H2,1-5H3,(H2,24,25,26)
InChIKeyOXQQGLANMUQVGG-UHFFFAOYSA-N
MW417.60 g/mol
LogP2.57
Rot. Bonds7

About 1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine

1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111924765) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is 1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111924765
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC Name1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
SMILESC/N=C(\NCC(C)N1CCC(C)CC1)NC1CCN(c2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C23H39N5O2/c1-17-6-9-27(10-7-17)18(2)15-25-23(24-3)26-19-8-11-28(16-19)20-12-21(29-4)14-22(13-20)30-5/h12-14,17-19H,6-11,15-16H2,1-5H3,(H2,24,25,26)
InChIKeyOXQQGLANMUQVGG-UHFFFAOYSA-N
XLogP2.57
TPSA61.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111925577
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111924552
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111924509
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-(3,3-dimethylbutyl)-2-methylguanidine
CID 111925025
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-(3,3-dimethylbutyl)-2-methylguanidine;hydroiodide
CID 111925024
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111924739
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 109387548
1-[(4-bromophenyl)methyl]-3-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylguanidine
CID 111978572
2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910518
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine;hydroiodide
CID 111924534
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylguanidine
CID 111925665
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 111925035

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine (CID 111924765) is 1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine is C/N=C(\NCC(C)N1CCC(C)CC1)NC1CCN(c2cc(OC)cc(OC)c2)C1.
What is the InChIKey of 1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is OXQQGLANMUQVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-17-6-9-27(10-7-17)18(2)15-25-23(24-3)26-19-8-11-28(16-19)20-12-21(29-4)14-22(13-20)30-5/h12-14,17-19H,6-11,15-16H2,1-5H3,(H2,24,25,26).
What are the key properties of 1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 417.60 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111924765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).