2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione

C26H29N3O3 — CID 118735748

IUPAC2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione
SMILESO=C(C1CCC(CN2C(=O)c3ccccc3C2=O)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H29N3O3/c30-24(28-16-14-27(15-17-28)21-6-2-1-3-7-21)20-12-10-19(11-13-20)18-29-25(31)22-8-4-5-9-23(22)26(29)32/h1-9,19-20H,10-18H2
InChIKeyBFZZACOVJPBJAV-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.44
Rot. Bonds4

About 2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione

2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione (PubChem CID 118735748) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione
PubChem CID118735748
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione
SMILESO=C(C1CCC(CN2C(=O)c3ccccc3C2=O)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H29N3O3/c30-24(28-16-14-27(15-17-28)21-6-2-1-3-7-21)20-12-10-19(11-13-20)18-29-25(31)22-8-4-5-9-23(22)26(29)32/h1-9,19-20H,10-18H2
InChIKeyBFZZACOVJPBJAV-UHFFFAOYSA-N
XLogP3.44
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 45223475
(1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 50985760
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylethyl]isoindole-1,3-dione
CID 110346889
cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
CID 141336827
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399
2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione
CID 166451914
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione (CID 118735748) is 2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione is O=C(C1CCC(CN2C(=O)c3ccccc3C2=O)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione?
The InChIKey is BFZZACOVJPBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c30-24(28-16-14-27(15-17-28)21-6-2-1-3-7-21)20-12-10-19(11-13-20)18-29-25(31)22-8-4-5-9-23(22)26(29)32/h1-9,19-20H,10-18H2.
What are the key properties of 2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione?
2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione has a molecular weight of 431.54 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 118735748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).