(5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione

C24H30N4O3S — CID 42397859

IUPAC(5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(CN2CCC([C@@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)s1
InChIInChI=1S/C24H30N4O3S/c1-17-7-8-20(32-17)16-27-12-9-18(10-13-27)24(21-6-2-3-11-25-21)22(29)28(23(30)26-24)15-19-5-4-14-31-19/h2-3,6-8,11,18-19H,4-5,9-10,12-16H2,1H3,(H,26,30)/t19-,24-/m0/s1
InChIKeyAJUHASHCVYPMJF-CYFREDJKSA-N
MW454.60 g/mol
LogP3.29
Rot. Bonds6

About (5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione

(5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 42397859) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is (5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID42397859
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name(5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(CN2CCC([C@@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)s1
InChIInChI=1S/C24H30N4O3S/c1-17-7-8-20(32-17)16-27-12-9-18(10-13-27)24(21-6-2-3-11-25-21)22(29)28(23(30)26-24)15-19-5-4-14-31-19/h2-3,6-8,11,18-19H,4-5,9-10,12-16H2,1H3,(H,26,30)/t19-,24-/m0/s1
InChIKeyAJUHASHCVYPMJF-CYFREDJKSA-N
XLogP3.29
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.29
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

(5S)-5-(1-benzylpiperidin-4-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42340144
(5R)-5-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42340619
5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45166233
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45180616
(5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42462024
5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45196944
(5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42438417
(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
3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45197451
(5R)-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42332168
(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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione (CID 42397859) is (5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione is Cc1ccc(CN2CCC([C@@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)s1.
What is the InChIKey of (5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is AJUHASHCVYPMJF-CYFREDJKSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-17-7-8-20(32-17)16-27-12-9-18(10-13-27)24(21-6-2-3-11-25-21)22(29)28(23(30)26-24)15-19-5-4-14-31-19/h2-3,6-8,11,18-19H,4-5,9-10,12-16H2,1H3,(H,26,30)/t19-,24-/m0/s1.
What are the key properties of (5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
(5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 454.60 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 42397859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).