(3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide

C24H37N3O4 — CID 124550709

IUPAC(3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C(=O)C(=O)N(C2CCCCC2)C(=O)[C@H]1NC1CCCCC1
InChIInChI=1S/C24H37N3O4/c28-21-19(22(29)26-17-12-6-2-7-13-17)20(25-16-10-4-1-5-11-16)23(30)27(24(21)31)18-14-8-3-9-15-18/h16-20,25H,1-15H2,(H,26,29)/t19-,20-/m0/s1
InChIKeyAJSNGWPXOSLKIO-PMACEKPBSA-N
MW431.58 g/mol
LogP2.61
Rot. Bonds5

About (3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide

(3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide (PubChem CID 124550709) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is (3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide
PubChem CID124550709
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC Name(3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C(=O)C(=O)N(C2CCCCC2)C(=O)[C@H]1NC1CCCCC1
InChIInChI=1S/C24H37N3O4/c28-21-19(22(29)26-17-12-6-2-7-13-17)20(25-16-10-4-1-5-11-16)23(30)27(24(21)31)18-14-8-3-9-15-18/h16-20,25H,1-15H2,(H,26,29)/t19-,20-/m0/s1
InChIKeyAJSNGWPXOSLKIO-PMACEKPBSA-N
XLogP2.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide
CID 98385369
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CID 2982201
N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438443
(2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide
CID 97015821
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
N-cyclohexyloxirane-2-carboxamide
CID 560327
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 176561401
N,2-dicyclohexyl-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 85006133

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide?
The IUPAC name of (3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide (CID 124550709) is (3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide.
What is the SMILES notation for (3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide?
The canonical SMILES for (3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide is O=C(NC1CCCCC1)[C@@H]1C(=O)C(=O)N(C2CCCCC2)C(=O)[C@H]1NC1CCCCC1.
What is the InChIKey of (3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide?
The InChIKey is AJSNGWPXOSLKIO-PMACEKPBSA-N. The full InChI is InChI=1S/C24H37N3O4/c28-21-19(22(29)26-17-12-6-2-7-13-17)20(25-16-10-4-1-5-11-16)23(30)27(24(21)31)18-14-8-3-9-15-18/h16-20,25H,1-15H2,(H,26,29)/t19-,20-/m0/s1.
What are the key properties of (3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide?
(3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide is sourced from PubChem (CID 124550709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).