(5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

C24H31N3O3S — CID 42373384

About (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

(5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 42373384) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
• PubChem CID: 42373384
• Molecular Formula: C24H31N3O3S
• Molecular Weight: 441.60 g/mol
• Exact Mass: 441.21
• IUPAC Name: (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
• SMILES: CC(C)Oc1ccc(CN2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1
• InChI: InChI=1S/C24H31N3O3S/c1-17(2)30-21-6-4-18(5-7-21)14-26-11-8-20(9-12-26)24(3)22(28)27(23(29)25-24)15-19-10-13-31-16-19/h4-7,10,13,16-17,20H,8-9,11-12,14-15H2,1-3H3,(H,25,29)/t24-/m1/s1
• InChIKey: LDQZGOACVTUOSC-XMMPIXPASA-N
• XLogP: 4.26
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.60
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (CID 42373384) is (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is CC(C)Oc1ccc(CN2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1.

What is the InChIKey of (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The InChIKey is LDQZGOACVTUOSC-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-17(2)30-21-6-4-18(5-7-21)14-26-11-8-20(9-12-26)24(3)22(28)27(23(29)25-24)15-19-10-13-31-16-19/h4-7,10,13,16-17,20H,8-9,11-12,14-15H2,1-3H3,(H,25,29)/t24-/m1/s1.

What are the key properties of (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

(5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 441.60 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42373384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).