3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione

C26H32N4O5 — CID 162891653

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CCN2C(=O)NC(CCC(=O)N3CCCCC3c3cccnc3)C2=O)cc1OC
InChIInChI=1S/C26H32N4O5/c1-34-22-10-8-18(16-23(22)35-2)12-15-30-25(32)20(28-26(30)33)9-11-24(31)29-14-4-3-7-21(29)19-6-5-13-27-17-19/h5-6,8,10,13,16-17,20-21H,3-4,7,9,11-12,14-15H2,1-2H3,(H,28,33)
InChIKeySWWRFQOCXWGUSQ-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.10
Rot. Bonds9

About 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione

3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 162891653) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID162891653
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CCN2C(=O)NC(CCC(=O)N3CCCCC3c3cccnc3)C2=O)cc1OC
InChIInChI=1S/C26H32N4O5/c1-34-22-10-8-18(16-23(22)35-2)12-15-30-25(32)20(28-26(30)33)9-11-24(31)29-14-4-3-7-21(29)19-6-5-13-27-17-19/h5-6,8,10,13,16-17,20-21H,3-4,7,9,11-12,14-15H2,1-2H3,(H,28,33)
InChIKeySWWRFQOCXWGUSQ-UHFFFAOYSA-N
XLogP3.10
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 129354842
3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 75465482
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 126418452
(5S)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 91638554
7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one
CID 124803702
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 124864039
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124673723
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 110210172
3-(3-chloro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732081
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one
CID 124802468

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione (CID 162891653) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione is COc1ccc(CCN2C(=O)NC(CCC(=O)N3CCCCC3c3cccnc3)C2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is SWWRFQOCXWGUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-34-22-10-8-18(16-23(22)35-2)12-15-30-25(32)20(28-26(30)33)9-11-24(31)29-14-4-3-7-21(29)19-6-5-13-27-17-19/h5-6,8,10,13,16-17,20-21H,3-4,7,9,11-12,14-15H2,1-2H3,(H,28,33).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 480.57 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 162891653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).