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

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

(5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 42462024) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is (5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name	(5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID	42462024
Molecular Formula	C26H32N4O4
Molecular Weight	464.57 g/mol
Exact Mass	464.24
IUPAC Name	(5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILES	COc1ccccc1CN1CCC([C@@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1
InChI	InChI=1S/C26H32N4O4/c1-33-22-9-3-2-7-19(22)17-29-14-11-20(12-15-29)26(23-10-4-5-13-27-23)24(31)30(25(32)28-26)18-21-8-6-16-34-21/h2-5,7,9-10,13,20-21H,6,8,11-12,14-18H2,1H3,(H,28,32)/t21-,26-/m0/s1
InChIKey	PNLXDXLEGHIFOV-LVXARBLLSA-N
XLogP	2.93
TPSA	84.00 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione (CID 42462024) is (5S)-5-[1-[(2-methoxyphenyl)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-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione is COc1ccccc1CN1CCC([C@@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1.

What is the InChIKey of (5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?

The InChIKey is PNLXDXLEGHIFOV-LVXARBLLSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-33-22-9-3-2-7-19(22)17-29-14-11-20(12-15-29)26(23-10-4-5-13-27-23)24(31)30(25(32)28-26)18-21-8-6-16-34-21/h2-5,7,9-10,13,20-21H,6,8,11-12,14-18H2,1H3,(H,28,32)/t21-,26-/m0/s1.

What are the key properties of (5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?

(5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 464.57 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 42462024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).