N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

C16H23N5O+2 — CID 135852319

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESC[NH+]1CC[NH+](CC(=O)N/N=C/c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N5O/c1-20-6-8-21(9-7-20)12-16(22)19-18-11-13-10-17-15-5-3-2-4-14(13)15/h2-5,10-11,17H,6-9,12H2,1H3,(H,19,22)/p+2/b18-11+
InChIKeyUDIKBQBJXBZMFC-WOJGMQOQSA-P
MW301.39 g/mol
LogP-1.97
Rot. Bonds4

About N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (PubChem CID 135852319) has the molecular formula C16H23N5O+2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
PubChem CID135852319
Molecular FormulaC16H23N5O+2
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESC[NH+]1CC[NH+](CC(=O)N/N=C/c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N5O/c1-20-6-8-21(9-7-20)12-16(22)19-18-11-13-10-17-15-5-3-2-4-14(13)15/h2-5,10-11,17H,6-9,12H2,1H3,(H,19,22)/p+2/b18-11+
InChIKeyUDIKBQBJXBZMFC-WOJGMQOQSA-P
XLogP-1.97
TPSA66.13 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4153907
N-(1H-indol-3-ylmethylideneamino)-3-(4-methylpiperazin-1-yl)propanamide
CID 790904
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6897978
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (CID 135852319) is N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is C[NH+]1CC[NH+](CC(=O)N/N=C/c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The InChIKey is UDIKBQBJXBZMFC-WOJGMQOQSA-P. The full InChI is InChI=1S/C16H21N5O/c1-20-6-8-21(9-7-20)12-16(22)19-18-11-13-10-17-15-5-3-2-4-14(13)15/h2-5,10-11,17H,6-9,12H2,1H3,(H,19,22)/p+2/b18-11+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide has a molecular weight of 301.39 g/mol, XLogP of -1.97, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is sourced from PubChem (CID 135852319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).