5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

About 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45178399) has the molecular formula C25H32FN5O4 and a molecular weight of 485.56 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID	45178399
Molecular Formula	C25H32FN5O4
Molecular Weight	485.56 g/mol
Exact Mass	485.24
IUPAC Name	5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILES	COCCN1C(=O)NC(Cc2cccc(F)c2)(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)C1=O
InChI	InChI=1S/C25H32FN5O4/c1-16(2)20-14-21(29-28-20)22(32)30-9-7-18(8-10-30)25(15-17-5-4-6-19(26)13-17)23(33)31(11-12-35-3)24(34)27-25/h4-6,13-14,16,18H,7-12,15H2,1-3H3,(H,27,34)(H,28,29)
InChIKey	QYIDIODVZFBAPZ-UHFFFAOYSA-N
XLogP	2.70
TPSA	107.63 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

The IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45178399) is 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is COCCN1C(=O)NC(Cc2cccc(F)c2)(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)C1=O.

What is the InChIKey of 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

The InChIKey is QYIDIODVZFBAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O4/c1-16(2)20-14-21(29-28-20)22(32)30-9-7-18(8-10-30)25(15-17-5-4-6-19(26)13-17)23(33)31(11-12-35-3)24(34)27-25/h4-6,13-14,16,18H,7-12,15H2,1-3H3,(H,27,34)(H,28,29).

What are the key properties of 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 485.56 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45178399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).