3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C25H30N4O5 — CID 45175375

IUPAC3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)NC(C)(C3CCN(C(=O)c4cccnc4C)CC3)C2=O)c1OC
InChIInChI=1S/C25H30N4O5/c1-16-19(8-6-12-26-16)22(30)28-13-10-18(11-14-28)25(2)23(31)29(24(32)27-25)15-17-7-5-9-20(33-3)21(17)34-4/h5-9,12,18H,10-11,13-15H2,1-4H3,(H,27,32)
InChIKeyFKDZSRBMGBWIDE-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.77
Rot. Bonds6

About 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45175375) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45175375
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)NC(C)(C3CCN(C(=O)c4cccnc4C)CC3)C2=O)c1OC
InChIInChI=1S/C25H30N4O5/c1-16-19(8-6-12-26-16)22(30)28-13-10-18(11-14-28)25(2)23(31)29(24(32)27-25)15-17-7-5-9-20(33-3)21(17)34-4/h5-9,12,18H,10-11,13-15H2,1-4H3,(H,27,32)
InChIKeyFKDZSRBMGBWIDE-UHFFFAOYSA-N
XLogP2.77
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.77
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

3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45192585
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 51857399
5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 45166286
(5S)-5-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 26277668
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 111109352
3-[2-(4-methoxyphenyl)ethyl]-5-methyl-5-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 75099006
[3a-(hydroxymethyl)-2-methylsulfonyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 171142809
1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46586888
3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160226
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 78950884
[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 828762

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45175375) is 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is COc1cccc(CN2C(=O)NC(C)(C3CCN(C(=O)c4cccnc4C)CC3)C2=O)c1OC.
What is the InChIKey of 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is FKDZSRBMGBWIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-16-19(8-6-12-26-16)22(30)28-13-10-18(11-14-28)25(2)23(31)29(24(32)27-25)15-17-7-5-9-20(33-3)21(17)34-4/h5-9,12,18H,10-11,13-15H2,1-4H3,(H,27,32).
What are the key properties of 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 466.54 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45175375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).