1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one

C19H28N4O2+2 — CID 8621915

IUPAC1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one
SMILESC[C@@H](C(=O)N1CCNC1=O)[NH+]1CC[NH+](C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H26N4O2/c1-16(18(24)23-11-9-20-19(23)25)22-14-12-21(13-15-22)10-5-8-17-6-3-2-4-7-17/h2-8,16H,9-15H2,1H3,(H,20,25)/p+2/b8-5+/t16-/m0/s1
InChIKeyWDNRGEGXZZAZJS-WHWKNOJMSA-P
MW344.46 g/mol
LogP-1.58
Rot. Bonds5

About 1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one

1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one (PubChem CID 8621915) has the molecular formula C19H28N4O2+2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one
PubChem CID8621915
Molecular FormulaC19H28N4O2+2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one
SMILESC[C@@H](C(=O)N1CCNC1=O)[NH+]1CC[NH+](C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H26N4O2/c1-16(18(24)23-11-9-20-19(23)25)22-14-12-21(13-15-22)10-5-8-17-6-3-2-4-7-17/h2-8,16H,9-15H2,1H3,(H,20,25)/p+2/b8-5+/t16-/m0/s1
InChIKeyWDNRGEGXZZAZJS-WHWKNOJMSA-P
XLogP-1.58
TPSA58.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide
CID 2496927
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
Simufilam
CID 46195331
N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 2088429
3-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266408
2-[benzyl(ethyl)amino]-N-(cyclopentylcarbamoyl)acetamide
CID 8533440
2-[benzyl(methyl)amino]-N-(cyclohexylcarbamoyl)acetamide
CID 16308816
1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-(phenylmethyl)-
CID 98811
1-Piperazinecarboxamide, 4-methyl-N-((5-oxo-1-(phenylmethyl)-3-pyrrolidinyl)methyl)-
CID 3025487
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-ylacetamide
CID 2372376
N-(benzylcarbamoyl)-2-piperidin-1-ylacetamide
CID 2697388
2-(4-benzylpiperidin-1-yl)-N-(tert-butylcarbamoyl)acetamide
CID 2697618

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one (CID 8621915) is 1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one is C[C@@H](C(=O)N1CCNC1=O)[NH+]1CC[NH+](C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one?
The InChIKey is WDNRGEGXZZAZJS-WHWKNOJMSA-P. The full InChI is InChI=1S/C19H26N4O2/c1-16(18(24)23-11-9-20-19(23)25)22-14-12-21(13-15-22)10-5-8-17-6-3-2-4-7-17/h2-8,16H,9-15H2,1H3,(H,20,25)/p+2/b8-5+/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one has a molecular weight of 344.46 g/mol, XLogP of -1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8621915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).