N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

C22H30N6 — CID 111220429

IUPACN-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(/NCC(C)N1CCc2ccccc21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H30N6/c1-18(28-12-10-19-7-3-4-8-20(19)28)17-25-22(23-2)27-15-13-26(14-16-27)21-9-5-6-11-24-21/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,25)
InChIKeyZBQPLQKEEUYZCD-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.23
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 111220429) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID111220429
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(/NCC(C)N1CCc2ccccc21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H30N6/c1-18(28-12-10-19-7-3-4-8-20(19)28)17-25-22(23-2)27-15-13-26(14-16-27)21-9-5-6-11-24-21/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,25)
InChIKeyZBQPLQKEEUYZCD-UHFFFAOYSA-N
XLogP2.23
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.23
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-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206639
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219158
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192975
N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219018
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220361
N'-methyl-N-(2-methyl-3-phenylmethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219036
N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide
CID 111219091
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221102
N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130947
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219297
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111220768
N'-methyl-N-(2-methylsulfanylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221596

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 111220429) is N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is C/N=C(/NCC(C)N1CCc2ccccc21)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is ZBQPLQKEEUYZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-18(28-12-10-19-7-3-4-8-20(19)28)17-25-22(23-2)27-15-13-26(14-16-27)21-9-5-6-11-24-21/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 378.52 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111220429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).