N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide

C22H28IN5O — CID 119115748

IUPACN'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCN1C(=O)Cc2ccccc21)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C22H27N5O.HI/c1-23-22(26-15-13-25(14-16-26)19-8-3-2-4-9-19)24-11-12-27-20-10-6-5-7-18(20)17-21(27)28;/h2-10H,11-17H2,1H3,(H,23,24);1H
InChIKeyNLXQCDLCCLPMFL-UHFFFAOYSA-N
MW505.40 g/mol
LogP2.59
Rot. Bonds4

About N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide

N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 119115748) has the molecular formula C22H28IN5O and a molecular weight of 505.40 g/mol. Its IUPAC name is N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
PubChem CID119115748
Molecular FormulaC22H28IN5O
Molecular Weight505.40 g/mol
Exact Mass505.13
IUPAC NameN'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCN1C(=O)Cc2ccccc21)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C22H27N5O.HI/c1-23-22(26-15-13-25(14-16-26)19-8-3-2-4-9-19)24-11-12-27-20-10-6-5-7-18(20)17-21(27)28;/h2-10H,11-17H2,1H3,(H,23,24);1H
InChIKeyNLXQCDLCCLPMFL-UHFFFAOYSA-N
XLogP2.59
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.40
LogP ≤ 52.59
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'}

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Related Compounds

N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130947
4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 119130400
N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119131907
N-(2-methoxyethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961380
N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide
CID 110961891
N-ethyl-N'-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130917
N-[2-(benzenesulfonyl)ethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961518
N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 110962115
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961738
N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111546845
1-[(4-chlorophenyl)methyl]-2-methyl-3-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine;hydroiodide
CID 119129873
tert-butyl N-[2-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 110962149

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide (CID 119115748) is N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide is C/N=C(/NCCN1C(=O)Cc2ccccc21)N1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is NLXQCDLCCLPMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O.HI/c1-23-22(26-15-13-25(14-16-26)19-8-3-2-4-9-19)24-11-12-27-20-10-6-5-7-18(20)17-21(27)28;/h2-10H,11-17H2,1H3,(H,23,24);1H.
What are the key properties of N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 505.40 g/mol, XLogP of 2.59, 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-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119115748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).