N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

C24H41IN4O — CID 111526906

IUPACN-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCCN(C(C)C)C1)N1CCC(COCc2ccccc2)C1.I
InChIInChI=1S/C24H40N4O.HI/c1-4-25-24(26-15-22-11-8-13-27(16-22)20(2)3)28-14-12-23(17-28)19-29-18-21-9-6-5-7-10-21;/h5-7,9-10,20,22-23H,4,8,11-19H2,1-3H3,(H,25,26);1H
InChIKeyAIUIUGVFQOUYAR-UHFFFAOYSA-N
MW528.52 g/mol
LogP4.23
Rot. Bonds8

About N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111526906) has the molecular formula C24H41IN4O and a molecular weight of 528.52 g/mol. Its IUPAC name is N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111526906
Molecular FormulaC24H41IN4O
Molecular Weight528.52 g/mol
Exact Mass528.23
IUPAC NameN-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCCN(C(C)C)C1)N1CCC(COCc2ccccc2)C1.I
InChIInChI=1S/C24H40N4O.HI/c1-4-25-24(26-15-22-11-8-13-27(16-22)20(2)3)28-14-12-23(17-28)19-29-18-21-9-6-5-7-10-21;/h5-7,9-10,20,22-23H,4,8,11-19H2,1-3H3,(H,25,26);1H
InChIKeyAIUIUGVFQOUYAR-UHFFFAOYSA-N
XLogP4.23
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.52
LogP ≤ 54.23
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide 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

N-ethyl-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111525711
N-ethyl-N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111527457
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526110
3-[[ethylamino-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111526652
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111527416
N'-(3,3-dimethylbutyl)-N-ethyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526647
N'-[3-(dimethylamino)propyl]-N-ethyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526979
N-ethyl-3-(phenylmethoxymethyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111527344
2-[[ethylamino-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111527002
N-ethyl-3-(phenylmethoxymethyl)-N'-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide
CID 111985283
2-[[ethylamino-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111526660
N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526996

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111526906) is N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CCCN(C(C)C)C1)N1CCC(COCc2ccccc2)C1.I.
What is the InChIKey of N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is AIUIUGVFQOUYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O.HI/c1-4-25-24(26-15-22-11-8-13-27(16-22)20(2)3)28-14-12-23(17-28)19-29-18-21-9-6-5-7-10-21;/h5-7,9-10,20,22-23H,4,8,11-19H2,1-3H3,(H,25,26);1H.
What are the key properties of N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 528.52 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111526906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).