5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione

C24H34FN5O2 — CID 75099053

IUPAC5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)NC(CC)(C2CCN(CC3CNNC3c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C24H34FN5O2/c1-4-24(22(31)30(14-16(2)3)23(32)27-24)19-9-11-29(12-10-19)15-18-13-26-28-21(18)17-5-7-20(25)8-6-17/h5-8,18-19,21,26,28H,2,4,9-15H2,1,3H3,(H,27,32)
InChIKeyCUAYXKPKZQZKRD-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.58
Rot. Bonds7

About 5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione

5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (PubChem CID 75099053) has the molecular formula C24H34FN5O2 and a molecular weight of 443.57 g/mol. Its IUPAC name is 5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
PubChem CID75099053
Molecular FormulaC24H34FN5O2
Molecular Weight443.57 g/mol
Exact Mass443.27
IUPAC Name5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)NC(CC)(C2CCN(CC3CNNC3c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C24H34FN5O2/c1-4-24(22(31)30(14-16(2)3)23(32)27-24)19-9-11-29(12-10-19)15-18-13-26-28-21(18)17-5-7-20(25)8-6-17/h5-8,18-19,21,26,28H,2,4,9-15H2,1,3H3,(H,27,32)
InChIKeyCUAYXKPKZQZKRD-UHFFFAOYSA-N
XLogP2.58
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (CID 75099053) is 5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is C=C(C)CN1C(=O)NC(CC)(C2CCN(CC3CNNC3c3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of 5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The InChIKey is CUAYXKPKZQZKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O2/c1-4-24(22(31)30(14-16(2)3)23(32)27-24)19-9-11-29(12-10-19)15-18-13-26-28-21(18)17-5-7-20(25)8-6-17/h5-8,18-19,21,26,28H,2,4,9-15H2,1,3H3,(H,27,32).
What are the key properties of 5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione has a molecular weight of 443.57 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 75099053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).