1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide

C26H35N3O4 — CID 55819361

IUPAC1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1
InChIInChI=1S/C26H35N3O4/c1-2-3-7-14-27-23(30)18-12-15-28(16-13-18)24(31)19-10-11-21-22(17-19)26(33)29(25(21)32)20-8-5-4-6-9-20/h10-11,17-18,20H,2-9,12-16H2,1H3,(H,27,30)
InChIKeyKLJUYBKYNIGNNF-UHFFFAOYSA-N
MW453.58 g/mol
LogP3.77
Rot. Bonds7

About 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide

1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide (PubChem CID 55819361) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide
PubChem CID55819361
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Name1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1
InChIInChI=1S/C26H35N3O4/c1-2-3-7-14-27-23(30)18-12-15-28(16-13-18)24(31)19-10-11-21-22(17-19)26(33)29(25(21)32)20-8-5-4-6-9-20/h10-11,17-18,20H,2-9,12-16H2,1H3,(H,27,30)
InChIKeyKLJUYBKYNIGNNF-UHFFFAOYSA-N
XLogP3.77
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride
CID 119373915
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
N-(3-methoxypropyl)-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 55953433
1-(2-butyl-1,3-dioxoisoindole-5-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55986516
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
N-[2-(dimethylamino)ethyl]-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 86945861
1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 56817809
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide (CID 55819361) is 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1.
What is the InChIKey of 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide?
The InChIKey is KLJUYBKYNIGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-2-3-7-14-27-23(30)18-12-15-28(16-13-18)24(31)19-10-11-21-22(17-19)26(33)29(25(21)32)20-8-5-4-6-9-20/h10-11,17-18,20H,2-9,12-16H2,1H3,(H,27,30).
What are the key properties of 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide?
1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55819361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).