5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione

C24H35N3O4 — CID 45194299

IUPAC5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)NC(CC)(C2CCN(Cc3ccc(OC)c(C)c3OC)CC2)C1=O
InChIInChI=1S/C24H35N3O4/c1-7-24(22(28)27(14-16(2)3)23(29)25-24)19-10-12-26(13-11-19)15-18-8-9-20(30-5)17(4)21(18)31-6/h8-9,19H,2,7,10-15H2,1,3-6H3,(H,25,29)
InChIKeyZVBMALRDIOHETQ-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.50
Rot. Bonds8

About 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione

5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (PubChem CID 45194299) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
PubChem CID45194299
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)NC(CC)(C2CCN(Cc3ccc(OC)c(C)c3OC)CC2)C1=O
InChIInChI=1S/C24H35N3O4/c1-7-24(22(28)27(14-16(2)3)23(29)25-24)19-10-12-26(13-11-19)15-18-8-9-20(30-5)17(4)21(18)31-6/h8-9,19H,2,7,10-15H2,1,3-6H3,(H,25,29)
InChIKeyZVBMALRDIOHETQ-UHFFFAOYSA-N
XLogP3.50
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 26276756
(5S)-5-ethyl-5-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 42168676
(5R)-5-ethyl-5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 42168263
5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45181155
5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 75099053
(5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42367407
(5R)-3-but-2-ynyl-5-[(3-fluorophenyl)methyl]-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26274397
5-ethyl-3-(2-methylprop-2-enyl)-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 126463818
(5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 42163382
N-[4-[[4-[(4R)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42499230
N-[4-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42499228
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42246406

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (CID 45194299) is 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is C=C(C)CN1C(=O)NC(CC)(C2CCN(Cc3ccc(OC)c(C)c3OC)CC2)C1=O.
What is the InChIKey of 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The InChIKey is ZVBMALRDIOHETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-7-24(22(28)27(14-16(2)3)23(29)25-24)19-10-12-26(13-11-19)15-18-8-9-20(30-5)17(4)21(18)31-6/h8-9,19H,2,7,10-15H2,1,3-6H3,(H,25,29).
What are the key properties of 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione has a molecular weight of 429.56 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45194299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).