N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide

C23H31N3O+2 — CID 8545164

IUPACN-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCCc1cccc(NC(=O)C[NH+]2CC[NH+](C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O/c1-2-20-10-6-12-22(18-20)24-23(27)19-26-16-14-25(15-17-26)13-7-11-21-8-4-3-5-9-21/h3-12,18H,2,13-17,19H2,1H3,(H,24,27)/p+2/b11-7+
InChIKeyRGCQYXDDRKTLRI-YRNVUSSQSA-P
MW365.52 g/mol
LogP0.68
Rot. Bonds7

About N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide

N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 8545164) has the molecular formula C23H31N3O+2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
PubChem CID8545164
Molecular FormulaC23H31N3O+2
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCCc1cccc(NC(=O)C[NH+]2CC[NH+](C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O/c1-2-20-10-6-12-22(18-20)24-23(27)19-26-16-14-25(15-17-26)13-7-11-21-8-4-3-5-9-21/h3-12,18H,2,13-17,19H2,1H3,(H,24,27)/p+2/b11-7+
InChIKeyRGCQYXDDRKTLRI-YRNVUSSQSA-P
XLogP0.68
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8544440
N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 6263004
N-[4-(difluoromethoxy)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8545287
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8544276
(2R)-N-ethyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetyl]amino]propanamide
CID 8621880
2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8544729
N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 2608362
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 7473112
methyl (2R,3S)-3-methyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetyl]amino]pentanoate
CID 8621746
N-[(1S)-1-naphthalen-1-ylethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8621819
methyl (2S)-4-methyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetyl]amino]pentanoate
CID 8621703
N-[(3-chlorophenyl)methyl]-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8621564

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide (CID 8545164) is N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide is CCc1cccc(NC(=O)C[NH+]2CC[NH+](C/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is RGCQYXDDRKTLRI-YRNVUSSQSA-P. The full InChI is InChI=1S/C23H29N3O/c1-2-20-10-6-12-22(18-20)24-23(27)19-26-16-14-25(15-17-26)13-7-11-21-8-4-3-5-9-21/h3-12,18H,2,13-17,19H2,1H3,(H,24,27)/p+2/b11-7+.
What are the key properties of N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide?
N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 365.52 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 8545164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).