cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone

C22H25N3O — CID 141336827

IUPACcyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc(N3Cc4ccccc4C3)cc2)CC1
InChIInChI=1S/C22H25N3O/c26-22(17-5-6-17)24-13-11-23(12-14-24)20-7-9-21(10-8-20)25-15-18-3-1-2-4-19(18)16-25/h1-4,7-10,17H,5-6,11-16H2
InChIKeyNNDQZTLTIWIYNG-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.27
Rot. Bonds3

About cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone

cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone (PubChem CID 141336827) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
PubChem CID141336827
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Namecyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc(N3Cc4ccccc4C3)cc2)CC1
InChIInChI=1S/C22H25N3O/c26-22(17-5-6-17)24-13-11-23(12-14-24)20-7-9-21(10-8-20)25-15-18-3-1-2-4-19(18)16-25/h1-4,7-10,17H,5-6,11-16H2
InChIKeyNNDQZTLTIWIYNG-UHFFFAOYSA-N
XLogP3.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide
CID 110417503
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)benzamide
CID 110420258
[4-(4-aminophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 62905278

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone (CID 141336827) is cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2ccc(N3Cc4ccccc4C3)cc2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone?
The InChIKey is NNDQZTLTIWIYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22(17-5-6-17)24-13-11-23(12-14-24)20-7-9-21(10-8-20)25-15-18-3-1-2-4-19(18)16-25/h1-4,7-10,17H,5-6,11-16H2.
What are the key properties of cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 141336827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).