1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione

C30H31FN4O2 — CID 15086307

IUPAC1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN(Cc2ccccn2)CC(=O)N1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H31FN4O2/c31-26-11-9-24(10-12-26)30(23-6-2-1-3-7-23)25-13-16-33(17-14-25)18-19-35-28(36)21-34(22-29(35)37)20-27-8-4-5-15-32-27/h1-12,15H,13-14,16-22H2
InChIKeySDHUMYWQPQNXGQ-UHFFFAOYSA-N
MW498.60 g/mol
LogP3.99
Rot. Bonds7

About 1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione

1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione (PubChem CID 15086307) has the molecular formula C30H31FN4O2 and a molecular weight of 498.60 g/mol. Its IUPAC name is 1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
PubChem CID15086307
Molecular FormulaC30H31FN4O2
Molecular Weight498.60 g/mol
Exact Mass498.24
IUPAC Name1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN(Cc2ccccn2)CC(=O)N1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H31FN4O2/c31-26-11-9-24(10-12-26)30(23-6-2-1-3-7-23)25-13-16-33(17-14-25)18-19-35-28(36)21-34(22-29(35)37)20-27-8-4-5-15-32-27/h1-12,15H,13-14,16-22H2
InChIKeySDHUMYWQPQNXGQ-UHFFFAOYSA-N
XLogP3.99
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 14098744
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine
CID 25164681
8-(pyridin-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155854522
2-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)-5,6,7,8,9,9a-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 67836111
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
1-[(2-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
CID 2926624
1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
CID 22648051
[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol
CID 97405891
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373358
methyl N-[2-[[4-(diethylcarbamoyl)phenyl]-[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]methyl]phenyl]carbamate
CID 11191502

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione (CID 15086307) is 1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione is O=C1CN(Cc2ccccn2)CC(=O)N1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione?
The InChIKey is SDHUMYWQPQNXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2/c31-26-11-9-24(10-12-26)30(23-6-2-1-3-7-23)25-13-16-33(17-14-25)18-19-35-28(36)21-34(22-29(35)37)20-27-8-4-5-15-32-27/h1-12,15H,13-14,16-22H2.
What are the key properties of 1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione?
1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione has a molecular weight of 498.60 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 15086307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).