5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione

C27H32N4O4 — CID 45183126

IUPAC5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCc1ccccc1CC(=O)N1CCC(C2(c3cccnc3)NC(=O)N(CC3CCCO3)C2=O)CC1
InChIInChI=1S/C27H32N4O4/c1-19-6-2-3-7-20(19)16-24(32)30-13-10-21(11-14-30)27(22-8-4-12-28-17-22)25(33)31(26(34)29-27)18-23-9-5-15-35-23/h2-4,6-8,12,17,21,23H,5,9-11,13-16,18H2,1H3,(H,29,34)
InChIKeyGQYUQARGFODVQY-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.80
Rot. Bonds6

About 5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione

5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 45183126) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID45183126
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCc1ccccc1CC(=O)N1CCC(C2(c3cccnc3)NC(=O)N(CC3CCCO3)C2=O)CC1
InChIInChI=1S/C27H32N4O4/c1-19-6-2-3-7-20(19)16-24(32)30-13-10-21(11-14-30)27(22-8-4-12-28-17-22)25(33)31(26(34)29-27)18-23-9-5-15-35-23/h2-4,6-8,12,17,21,23H,5,9-11,13-16,18H2,1H3,(H,29,34)
InChIKeyGQYUQARGFODVQY-UHFFFAOYSA-N
XLogP2.80
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione (CID 45183126) is 5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione is Cc1ccccc1CC(=O)N1CCC(C2(c3cccnc3)NC(=O)N(CC3CCCO3)C2=O)CC1.
What is the InChIKey of 5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is GQYUQARGFODVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-19-6-2-3-7-20(19)16-24(32)30-13-10-21(11-14-30)27(22-8-4-12-28-17-22)25(33)31(26(34)29-27)18-23-9-5-15-35-23/h2-4,6-8,12,17,21,23H,5,9-11,13-16,18H2,1H3,(H,29,34).
What are the key properties of 5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 476.58 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 45183126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).