1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one

C17H24N4O3 — CID 122147915

IUPAC1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
SMILESCOc1ccc(C(=O)N2CC(C)NC(C)C2)cc1N1CCNC1=O
InChIInChI=1S/C17H24N4O3/c1-11-9-20(10-12(2)19-11)16(22)13-4-5-15(24-3)14(8-13)21-7-6-18-17(21)23/h4-5,8,11-12,19H,6-7,9-10H2,1-3H3,(H,18,23)
InChIKeyFGISOIOINQMIJG-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.05
Rot. Bonds3

About 1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one

1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one (PubChem CID 122147915) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
PubChem CID122147915
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
SMILESCOc1ccc(C(=O)N2CC(C)NC(C)C2)cc1N1CCNC1=O
InChIInChI=1S/C17H24N4O3/c1-11-9-20(10-12(2)19-11)16(22)13-4-5-15(24-3)14(8-13)21-7-6-18-17(21)23/h4-5,8,11-12,19H,6-7,9-10H2,1-3H3,(H,18,23)
InChIKeyFGISOIOINQMIJG-UHFFFAOYSA-N
XLogP1.05
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one
CID 124573528
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119350135
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119351118
(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564733
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119564338
1-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 124590622
(3S,4S)-1-[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953519
1-[5-[(3R)-3-methoxypiperidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 97141117
1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 70761074
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 124590484
1-[2-methoxy-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120877283

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one?
The IUPAC name of 1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one (CID 122147915) is 1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one is COc1ccc(C(=O)N2CC(C)NC(C)C2)cc1N1CCNC1=O.
What is the InChIKey of 1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one?
The InChIKey is FGISOIOINQMIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-9-20(10-12(2)19-11)16(22)13-4-5-15(24-3)14(8-13)21-7-6-18-17(21)23/h4-5,8,11-12,19H,6-7,9-10H2,1-3H3,(H,18,23).
What are the key properties of 1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one?
1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one is sourced from PubChem (CID 122147915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).