4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one

C21H28N2O3 — CID 134786467

IUPAC4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one
SMILESO=C(C1CCCCC1)N1CC(=O)N(C2Cc3ccccc3C2)CC(O)C1
InChIInChI=1S/C21H28N2O3/c24-19-12-22(21(26)15-6-2-1-3-7-15)14-20(25)23(13-19)18-10-16-8-4-5-9-17(16)11-18/h4-5,8-9,15,18-19,24H,1-3,6-7,10-14H2
InChIKeyCREYJONAACWQTH-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.77
Rot. Bonds2

About 4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one

4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one (PubChem CID 134786467) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one
PubChem CID134786467
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one
SMILESO=C(C1CCCCC1)N1CC(=O)N(C2Cc3ccccc3C2)CC(O)C1
InChIInChI=1S/C21H28N2O3/c24-19-12-22(21(26)15-6-2-1-3-7-15)14-20(25)23(13-19)18-10-16-8-4-5-9-17(16)11-18/h4-5,8-9,15,18-19,24H,1-3,6-7,10-14H2
InChIKeyCREYJONAACWQTH-UHFFFAOYSA-N
XLogP1.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one with MolForge

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Related Compounds

(12bS)-2-(cyclohexanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 73415932
1-(2,3-dihydro-1H-inden-2-yl)-4-hydroxypyrrolidin-2-one
CID 107849710
(11bR)-2-(4-hydroxycyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 51419535
1-cyclopentyl-4-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 55179169
2,3-dihydro-1H-inden-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 112530917
(11bS)-2-(4,4-dideuteriocyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 66549522
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 97138323
azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224
2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 72793689
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one?
The IUPAC name of 4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one (CID 134786467) is 4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one?
The canonical SMILES for 4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one is O=C(C1CCCCC1)N1CC(=O)N(C2Cc3ccccc3C2)CC(O)C1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one?
The InChIKey is CREYJONAACWQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-19-12-22(21(26)15-6-2-1-3-7-15)14-20(25)23(13-19)18-10-16-8-4-5-9-17(16)11-18/h4-5,8-9,15,18-19,24H,1-3,6-7,10-14H2.
What are the key properties of 4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one?
4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one has a molecular weight of 356.47 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-2-one is sourced from PubChem (CID 134786467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).