methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium

C23H34N4O2+2 — CID 8790151

IUPACmethyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H32N4O2/c1-3-11-24-22(28)17-25(2)18-23(29)27-14-12-26(13-15-27)16-20-9-6-8-19-7-4-5-10-21(19)20/h4-10H,3,11-18H2,1-2H3,(H,24,28)/p+2
InChIKeyKTNGFIAKXXUGIP-UHFFFAOYSA-P
MW398.55 g/mol
LogP-0.89
Rot. Bonds8

About methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium

methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium (PubChem CID 8790151) has the molecular formula C23H34N4O2+2 and a molecular weight of 398.55 g/mol. Its IUPAC name is methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium
PubChem CID8790151
Molecular FormulaC23H34N4O2+2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Namemethyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H32N4O2/c1-3-11-24-22(28)17-25(2)18-23(29)27-14-12-26(13-15-27)16-20-9-6-8-19-7-4-5-10-21(19)20/h4-10H,3,11-18H2,1-2H3,(H,24,28)/p+2
InChIKeyKTNGFIAKXXUGIP-UHFFFAOYSA-P
XLogP-0.89
TPSA58.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium with MolForge

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8910937
[2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8789359
3-methyl-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]butan-1-one
CID 4742437
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964463
[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8694493
1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2,2-diphenylethanone
CID 4754444
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-yl]ethyl]azanium
CID 9137244
N-(3-methylsulfanylpropyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbothioamide
CID 9097510
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
[2-(2-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8558656
(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8804679
[2-(3,5-dimethylanilino)-2-oxoethyl]-methyl-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8558610

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
The IUPAC name of methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium (CID 8790151) is methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium.
What is the SMILES notation for methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
The canonical SMILES for methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium is CCCNC(=O)C[NH+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc23)CC1.
What is the InChIKey of methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
The InChIKey is KTNGFIAKXXUGIP-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H32N4O2/c1-3-11-24-22(28)17-25(2)18-23(29)27-14-12-26(13-15-27)16-20-9-6-8-19-7-4-5-10-21(19)20/h4-10H,3,11-18H2,1-2H3,(H,24,28)/p+2.
What are the key properties of methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium has a molecular weight of 398.55 g/mol, XLogP of -0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[2-oxo-2-(propylamino)ethyl]azanium is sourced from PubChem (CID 8790151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).