1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one

C20H30N4O5 — CID 9127916

IUPAC1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
SMILESCOc1ccc(CN2CCN([C@H](C)C(=O)N3CCNC3=O)CC2)c(OC)c1OC
InChIInChI=1S/C20H30N4O5/c1-14(19(25)24-8-7-21-20(24)26)23-11-9-22(10-12-23)13-15-5-6-16(27-2)18(29-4)17(15)28-3/h5-6,14H,7-13H2,1-4H3,(H,21,26)/t14-/m1/s1
InChIKeyXMQCQDKQAFKFPO-CQSZACIVSA-N
MW406.48 g/mol
LogP0.77
Rot. Bonds7

About 1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one

1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one (PubChem CID 9127916) has the molecular formula C20H30N4O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
PubChem CID9127916
Molecular FormulaC20H30N4O5
Molecular Weight406.48 g/mol
Exact Mass406.22
IUPAC Name1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
SMILESCOc1ccc(CN2CCN([C@H](C)C(=O)N3CCNC3=O)CC2)c(OC)c1OC
InChIInChI=1S/C20H30N4O5/c1-14(19(25)24-8-7-21-20(24)26)23-11-9-22(10-12-23)13-15-5-6-16(27-2)18(29-4)17(15)28-3/h5-6,14H,7-13H2,1-4H3,(H,21,26)/t14-/m1/s1
InChIKeyXMQCQDKQAFKFPO-CQSZACIVSA-N
XLogP0.77
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 9127914
1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8972500
1-[(2S)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8972493
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 9127748
methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate
CID 9127899
(2S)-N-(methylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127707
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
(2S)-N-benzyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127696
1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8559724
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
(2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127732

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one (CID 9127916) is 1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one is COc1ccc(CN2CCN([C@H](C)C(=O)N3CCNC3=O)CC2)c(OC)c1OC.
What is the InChIKey of 1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one?
The InChIKey is XMQCQDKQAFKFPO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H30N4O5/c1-14(19(25)24-8-7-21-20(24)26)23-11-9-22(10-12-23)13-15-5-6-16(27-2)18(29-4)17(15)28-3/h5-6,14H,7-13H2,1-4H3,(H,21,26)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one?
1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one has a molecular weight of 406.48 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 9127916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).