2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide

C20H34N3O2+ — CID 8904443

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H33N3O2/c1-14(20-10-16-7-17(11-20)9-18(8-16)12-20)21-19(25)13-22-3-5-23(6-4-22)15(2)24/h14,16-18H,3-13H2,1-2H3,(H,21,25)/p+1/t14-,16?,17?,18?,20?/m0/s1
InChIKeyPOMVTRQJAMFFIK-UYIIGHAYSA-O
MW348.51 g/mol
LogP0.45
Rot. Bonds4

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide (PubChem CID 8904443) has the molecular formula C20H34N3O2+ and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide
PubChem CID8904443
Molecular FormulaC20H34N3O2+
Molecular Weight348.51 g/mol
Exact Mass348.26
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H33N3O2/c1-14(20-10-16-7-17(11-20)9-18(8-16)12-20)21-19(25)13-22-3-5-23(6-4-22)15(2)24/h14,16-18H,3-13H2,1-2H3,(H,21,25)/p+1/t14-,16?,17?,18?,20?/m0/s1
InChIKeyPOMVTRQJAMFFIK-UYIIGHAYSA-O
XLogP0.45
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
CID 18168654
N-[1-(1-adamantyl)ethyl]-3-bromopropanamide
CID 113385110
2-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569418
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771959
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282
N-[(1S)-1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
CID 7395653
2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide
CID 9117216
N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108509038
N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26523138

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide (CID 8904443) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide is CC(=O)N1CC[NH+](CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide?
The InChIKey is POMVTRQJAMFFIK-UYIIGHAYSA-O. The full InChI is InChI=1S/C20H33N3O2/c1-14(20-10-16-7-17(11-20)9-18(8-16)12-20)21-19(25)13-22-3-5-23(6-4-22)15(2)24/h14,16-18H,3-13H2,1-2H3,(H,21,25)/p+1/t14-,16?,17?,18?,20?/m0/s1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide has a molecular weight of 348.51 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide is sourced from PubChem (CID 8904443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).