3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C25H28FN3O4 — CID 45168071

IUPAC3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1occc1C(=O)N1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(CC3CC3)C2=O)CC1
InChIInChI=1S/C25H28FN3O4/c1-16-21(10-13-33-16)22(30)28-11-8-19(9-12-28)25(14-17-4-6-20(26)7-5-17)23(31)29(24(32)27-25)15-18-2-3-18/h4-7,10,13,18-19H,2-3,8-9,11-12,14-15H2,1H3,(H,27,32)
InChIKeyWBEDEQYGAWGJOQ-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.52
Rot. Bonds6

About 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45168071) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45168071
Molecular FormulaC25H28FN3O4
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Name3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1occc1C(=O)N1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(CC3CC3)C2=O)CC1
InChIInChI=1S/C25H28FN3O4/c1-16-21(10-13-33-16)22(30)28-11-8-19(9-12-28)25(14-17-4-6-20(26)7-5-17)23(31)29(24(32)27-25)15-18-2-3-18/h4-7,10,13,18-19H,2-3,8-9,11-12,14-15H2,1H3,(H,27,32)
InChIKeyWBEDEQYGAWGJOQ-UHFFFAOYSA-N
XLogP3.52
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45168071) is 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is Cc1occc1C(=O)N1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(CC3CC3)C2=O)CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is WBEDEQYGAWGJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c1-16-21(10-13-33-16)22(30)28-11-8-19(9-12-28)25(14-17-4-6-20(26)7-5-17)23(31)29(24(32)27-25)15-18-2-3-18/h4-7,10,13,18-19H,2-3,8-9,11-12,14-15H2,1H3,(H,27,32).
What are the key properties of 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 453.51 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45168071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).