N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide

C16H24N3O3+ — CID 6988242

IUPACN-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide
SMILESCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-3-18-8-10-19(11-9-18)15(20)12-17-16(21)13-4-6-14(22-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,17,21)/p+1
InChIKeyPZCRLHCPNYKRHM-UHFFFAOYSA-O
MW306.39 g/mol
LogP-0.83
Rot. Bonds5

About N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide

N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 6988242) has the molecular formula C16H24N3O3+ and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide
PubChem CID6988242
Molecular FormulaC16H24N3O3+
Molecular Weight306.39 g/mol
Exact Mass306.18
IUPAC NameN-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide
SMILESCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-3-18-8-10-19(11-9-18)15(20)12-17-16(21)13-4-6-14(22-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,17,21)/p+1
InChIKeyPZCRLHCPNYKRHM-UHFFFAOYSA-O
XLogP-0.83
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 38321399
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide
CID 38376792
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964463
4-butoxy-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 30953662
4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
CID 29207362
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26500774
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
4-butoxy-N-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]benzamide
CID 2544715
N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide
CID 22243702
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide (CID 6988242) is N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide is CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is PZCRLHCPNYKRHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3O3/c1-3-18-8-10-19(11-9-18)15(20)12-17-16(21)13-4-6-14(22-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,17,21)/p+1.
What are the key properties of N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide?
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 306.39 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 6988242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).