5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride

C20H26ClN3O3 — CID 119373915

IUPAC5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1
InChIInChI=1S/C20H25N3O3.ClH/c21-14-8-10-22(11-9-14)18(24)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15;/h6-7,12,14-15H,1-5,8-11,21H2;1H
InChIKeyXRDYZDKHWYSNAP-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.60
Rot. Bonds2

About 5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride

5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride (PubChem CID 119373915) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride
PubChem CID119373915
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1
InChIInChI=1S/C20H25N3O3.ClH/c21-14-8-10-22(11-9-14)18(24)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15;/h6-7,12,14-15H,1-5,8-11,21H2;1H
InChIKeyXRDYZDKHWYSNAP-UHFFFAOYSA-N
XLogP2.60
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)piperazine-1-carboxylate
CID 108568364
5-[4-(2-chloroacetyl)piperazine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione
CID 108568370
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione;hydrochloride
CID 119631915
5-[4-(3-chloropropanoyl)piperazine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione
CID 108568363
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione
CID 119467137
1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122119284
[4-[4-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-1,4-diazepane-1-carbonyl]phenyl] ethyl carbonate
CID 108929659
1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 55819361
2-cyclohexyl-5-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)isoindole-1,3-dione
CID 108757572
2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione
CID 56579447
2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108765051
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride?
The IUPAC name of 5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride (CID 119373915) is 5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride?
The canonical SMILES for 5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride is Cl.NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1.
What is the InChIKey of 5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride?
The InChIKey is XRDYZDKHWYSNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.ClH/c21-14-8-10-22(11-9-14)18(24)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15;/h6-7,12,14-15H,1-5,8-11,21H2;1H.
What are the key properties of 5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride?
5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 119373915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).