N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide

C13H22N4O+2 — CID 8616442

IUPACN-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide
SMILESCC(=O)NCC[NH+]1CCN(c2cccc[nH+]2)CC1
InChIInChI=1S/C13H20N4O/c1-12(18)14-6-7-16-8-10-17(11-9-16)13-4-2-3-5-15-13/h2-5H,6-11H2,1H3,(H,14,18)/p+2
InChIKeyQAZQWSJUEFFTCE-UHFFFAOYSA-P
MW250.35 g/mol
LogP-1.66
Rot. Bonds4

About N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide

N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide (PubChem CID 8616442) has the molecular formula C13H22N4O+2 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide
PubChem CID8616442
Molecular FormulaC13H22N4O+2
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide
SMILESCC(=O)NCC[NH+]1CCN(c2cccc[nH+]2)CC1
InChIInChI=1S/C13H20N4O/c1-12(18)14-6-7-16-8-10-17(11-9-16)13-4-2-3-5-15-13/h2-5H,6-11H2,1H3,(H,14,18)/p+2
InChIKeyQAZQWSJUEFFTCE-UHFFFAOYSA-P
XLogP-1.66
TPSA50.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 2114114
N-(butylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8619861
N-(tert-butylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 2112858
N,N-dimethyl-4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide
CID 8546386
N-(2,3-dichlorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 7104210
2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8619760
2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8619465
methyl 4-methyl-3-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzoate
CID 8545947
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide
CID 8019042
N-(4-chloro-2-methylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8547275
N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 6958621
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 7223874

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide (CID 8616442) is N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide is CC(=O)NCC[NH+]1CCN(c2cccc[nH+]2)CC1.
What is the InChIKey of N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide?
The InChIKey is QAZQWSJUEFFTCE-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H20N4O/c1-12(18)14-6-7-16-8-10-17(11-9-16)13-4-2-3-5-15-13/h2-5H,6-11H2,1H3,(H,14,18)/p+2.
What are the key properties of N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide?
N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide has a molecular weight of 250.35 g/mol, XLogP of -1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide is sourced from PubChem (CID 8616442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).