3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione

C24H28N4O4S — CID 45197451

IUPAC3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(Cc1cccs1)N1CCC(C2(c3ccccn3)NC(=O)N(CC3CCCO3)C2=O)CC1
InChIInChI=1S/C24H28N4O4S/c29-21(15-19-6-4-14-33-19)27-11-8-17(9-12-27)24(20-7-1-2-10-25-20)22(30)28(23(31)26-24)16-18-5-3-13-32-18/h1-2,4,6-7,10,14,17-18H,3,5,8-9,11-13,15-16H2,(H,26,31)
InChIKeyOAVGYUCCVBCSJE-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.55
Rot. Bonds6

About 3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione

3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45197451) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45197451
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(Cc1cccs1)N1CCC(C2(c3ccccn3)NC(=O)N(CC3CCCO3)C2=O)CC1
InChIInChI=1S/C24H28N4O4S/c29-21(15-19-6-4-14-33-19)27-11-8-17(9-12-27)24(20-7-1-2-10-25-20)22(30)28(23(31)26-24)16-18-5-3-13-32-18/h1-2,4,6-7,10,14,17-18H,3,5,8-9,11-13,15-16H2,(H,26,31)
InChIKeyOAVGYUCCVBCSJE-UHFFFAOYSA-N
XLogP2.55
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.55
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

(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26351019
(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26351024
(5S)-5-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26350498
(5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42432477
5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45233140
5-[1-[2-(2,3-difluorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45230238
(5S)-5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42485301
(5R)-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26361612
(5R)-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42332168
(5S)-5-(1-benzylpiperidin-4-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42340144
(5S)-5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42484741
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45180616

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45197451) is 3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione is O=C(Cc1cccs1)N1CCC(C2(c3ccccn3)NC(=O)N(CC3CCCO3)C2=O)CC1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is OAVGYUCCVBCSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c29-21(15-19-6-4-14-33-19)27-11-8-17(9-12-27)24(20-7-1-2-10-25-20)22(30)28(23(31)26-24)16-18-5-3-13-32-18/h1-2,4,6-7,10,14,17-18H,3,5,8-9,11-13,15-16H2,(H,26,31).
What are the key properties of 3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 468.58 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45197451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).