5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione

C26H40N4O4 — CID 45221618

IUPAC5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(Cc3cccc(OC)c3O)CC2)NC(=O)N(CCC2CCCN2C)C1=O
InChIInChI=1S/C26H40N4O4/c1-4-13-26(24(32)30(25(33)27-26)17-12-21-8-6-14-28(21)2)20-10-15-29(16-11-20)18-19-7-5-9-22(34-3)23(19)31/h5,7,9,20-21,31H,4,6,8,10-18H2,1-3H3,(H,27,33)
InChIKeyYEDXYULTFMLHHE-UHFFFAOYSA-N
MW472.63 g/mol
LogP3.19
Rot. Bonds9

About 5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione

5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione (PubChem CID 45221618) has the molecular formula C26H40N4O4 and a molecular weight of 472.63 g/mol. Its IUPAC name is 5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
PubChem CID45221618
Molecular FormulaC26H40N4O4
Molecular Weight472.63 g/mol
Exact Mass472.30
IUPAC Name5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(Cc3cccc(OC)c3O)CC2)NC(=O)N(CCC2CCCN2C)C1=O
InChIInChI=1S/C26H40N4O4/c1-4-13-26(24(32)30(25(33)27-26)17-12-21-8-6-14-28(21)2)20-10-15-29(16-11-20)18-19-7-5-9-22(34-3)23(19)31/h5,7,9,20-21,31H,4,6,8,10-18H2,1-3H3,(H,27,33)
InChIKeyYEDXYULTFMLHHE-UHFFFAOYSA-N
XLogP3.19
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 45239134
(5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
CID 26399634
(5S)-5-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42246851
N-[4-[4-[(4S)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2,5-dioxo-4-propylimidazolidin-4-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 42383062
(5R)-5-[1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
CID 42162688
5-[1-[3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 74779848
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
(5R)-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 42454875
(5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42381499
(5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
CID 97027345
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione (CID 45221618) is 5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione is CCCC1(C2CCN(Cc3cccc(OC)c3O)CC2)NC(=O)N(CCC2CCCN2C)C1=O.
What is the InChIKey of 5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is YEDXYULTFMLHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O4/c1-4-13-26(24(32)30(25(33)27-26)17-12-21-8-6-14-28(21)2)20-10-15-29(16-11-20)18-19-7-5-9-22(34-3)23(19)31/h5,7,9,20-21,31H,4,6,8,10-18H2,1-3H3,(H,27,33).
What are the key properties of 5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 472.63 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 45221618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).