1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione

C24H29FN4O2 — CID 56595577

IUPAC1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C24H29FN4O2/c1-2-12-29-23(30)17-28(24(29)31)15-18-6-8-19(9-7-18)21-11-10-20(25)22(26-21)16-27-13-4-3-5-14-27/h6-11H,2-5,12-17H2,1H3
InChIKeyHOIYGCHNLHPXEO-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.05
Rot. Bonds7

About 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione

1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione (PubChem CID 56595577) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione
PubChem CID56595577
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C24H29FN4O2/c1-2-12-29-23(30)17-28(24(29)31)15-18-6-8-19(9-7-18)21-11-10-20(25)22(26-21)16-27-13-4-3-5-14-27/h6-11H,2-5,12-17H2,1H3
InChIKeyHOIYGCHNLHPXEO-UHFFFAOYSA-N
XLogP4.05
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
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 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione?
The IUPAC name of 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione (CID 56595577) is 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O.
What is the InChIKey of 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione?
The InChIKey is HOIYGCHNLHPXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-2-12-29-23(30)17-28(24(29)31)15-18-6-8-19(9-7-18)21-11-10-20(25)22(26-21)16-27-13-4-3-5-14-27/h6-11H,2-5,12-17H2,1H3.
What are the key properties of 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione?
1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione has a molecular weight of 424.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 56595577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).