1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione

C24H32FN3O3 — CID 53004232

IUPAC1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione
SMILESO=C(CC1CCCCC1)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1
InChIInChI=1S/C24H32FN3O3/c25-20-8-4-7-19(15-20)17-27-13-14-28(24(31)23(27)30)21-9-11-26(12-10-21)22(29)16-18-5-2-1-3-6-18/h4,7-8,15,18,21H,1-3,5-6,9-14,16-17H2
InChIKeyIZQKIIZUMICCIW-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.96
Rot. Bonds5

About 1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione

1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione (PubChem CID 53004232) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione
PubChem CID53004232
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC Name1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione
SMILESO=C(CC1CCCCC1)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1
InChIInChI=1S/C24H32FN3O3/c25-20-8-4-7-19(15-20)17-27-13-14-28(24(31)23(27)30)21-9-11-26(12-10-21)22(29)16-18-5-2-1-3-6-18/h4,7-8,15,18,21H,1-3,5-6,9-14,16-17H2
InChIKeyIZQKIIZUMICCIW-UHFFFAOYSA-N
XLogP2.96
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 50789358
1-[(3-fluorophenyl)methyl]-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53004248
1-benzyl-4-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]piperazine-2,3-dione
CID 53053323
1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
CID 50742706
5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[(3-fluorophenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135584773
3-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028917
tert-butyl 4-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxylate
CID 46344020
4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 119803556
N-(2,4-difluorophenyl)-4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 53094546
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541
N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077269
7-(2-cyclopropylacetyl)-1-[(3-fluorophenyl)methyl]-4,5,5a,6,8,8a-hexahydro-3H-pyrrolo[3,4-b]azepin-2-one
CID 171144492

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione?
The IUPAC name of 1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione (CID 53004232) is 1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione?
The canonical SMILES for 1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione is O=C(CC1CCCCC1)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1.
What is the InChIKey of 1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione?
The InChIKey is IZQKIIZUMICCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c25-20-8-4-7-19(15-20)17-27-13-14-28(24(31)23(27)30)21-9-11-26(12-10-21)22(29)16-18-5-2-1-3-6-18/h4,7-8,15,18,21H,1-3,5-6,9-14,16-17H2.
What are the key properties of 1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione?
1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione has a molecular weight of 429.54 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione is sourced from PubChem (CID 53004232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).