3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

C21H29N3O3 — CID 118759123

IUPAC3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCOc1cccc(CC2(C3CCNCC3)NC(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C21H29N3O3/c1-27-18-8-4-5-15(13-18)14-21(16-9-11-22-12-10-16)19(25)24(20(26)23-21)17-6-2-3-7-17/h4-5,8,13,16-17,22H,2-3,6-7,9-12,14H2,1H3,(H,23,26)
InChIKeyVMAWDQYOTMLGLA-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.47
Rot. Bonds5

About 3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 118759123) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID118759123
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCOc1cccc(CC2(C3CCNCC3)NC(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C21H29N3O3/c1-27-18-8-4-5-15(13-18)14-21(16-9-11-22-12-10-16)19(25)24(20(26)23-21)17-6-2-3-7-17/h4-5,8,13,16-17,22H,2-3,6-7,9-12,14H2,1H3,(H,23,26)
InChIKeyVMAWDQYOTMLGLA-UHFFFAOYSA-N
XLogP2.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95210352
(5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95209787
(5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95220588
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56707190
5-[1-(2,2-diphenylethyl)piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
CID 45193601
(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 26275267
(5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42481511
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
CID 45193946
(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95222574
3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45204257
(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42452027
4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one
CID 115067815

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (CID 118759123) is 3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is COc1cccc(CC2(C3CCNCC3)NC(=O)N(C3CCCC3)C2=O)c1.
What is the InChIKey of 3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is VMAWDQYOTMLGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-27-18-8-4-5-15(13-18)14-21(16-9-11-22-12-10-16)19(25)24(20(26)23-21)17-6-2-3-7-17/h4-5,8,13,16-17,22H,2-3,6-7,9-12,14H2,1H3,(H,23,26).
What are the key properties of 3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 371.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 118759123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).