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

C27H36FN3O3 — CID 45179275

IUPAC3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC1(C(=O)N2CCC(C3(Cc4ccc(F)cc4)NC(=O)N(CC4CC4)C3=O)CC2)CCCCC1
InChIInChI=1S/C27H36FN3O3/c1-26(13-3-2-4-14-26)23(32)30-15-11-21(12-16-30)27(17-19-7-9-22(28)10-8-19)24(33)31(25(34)29-27)18-20-5-6-20/h7-10,20-21H,2-6,11-18H2,1H3,(H,29,34)
InChIKeyFPBKNHNWLSGQNI-UHFFFAOYSA-N
MW469.60 g/mol
LogP4.28
Rot. Bonds6

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

3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45179275) has the molecular formula C27H36FN3O3 and a molecular weight of 469.60 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45179275
Molecular FormulaC27H36FN3O3
Molecular Weight469.60 g/mol
Exact Mass469.27
IUPAC Name3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC1(C(=O)N2CCC(C3(Cc4ccc(F)cc4)NC(=O)N(CC4CC4)C3=O)CC2)CCCCC1
InChIInChI=1S/C27H36FN3O3/c1-26(13-3-2-4-14-26)23(32)30-15-11-21(12-16-30)27(17-19-7-9-22(28)10-8-19)24(33)31(25(34)29-27)18-20-5-6-20/h7-10,20-21H,2-6,11-18H2,1H3,(H,29,34)
InChIKeyFPBKNHNWLSGQNI-UHFFFAOYSA-N
XLogP4.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45179275) is 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione is CC1(C(=O)N2CCC(C3(Cc4ccc(F)cc4)NC(=O)N(CC4CC4)C3=O)CC2)CCCCC1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is FPBKNHNWLSGQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN3O3/c1-26(13-3-2-4-14-26)23(32)30-15-11-21(12-16-30)27(17-19-7-9-22(28)10-8-19)24(33)31(25(34)29-27)18-20-5-6-20/h7-10,20-21H,2-6,11-18H2,1H3,(H,29,34).
What are the key properties of 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 469.60 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45179275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).