4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one

C14H15N3O2 — CID 65360904

IUPAC4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2cccc3[nH]ccc23)CCCN1
InChIInChI=1S/C14H15N3O2/c18-13-9-17(8-2-6-16-13)14(19)11-3-1-4-12-10(11)5-7-15-12/h1,3-5,7,15H,2,6,8-9H2,(H,16,18)
InChIKeyULOIMYNJDBLXNL-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.13
Rot. Bonds1

About 4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one

4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one (PubChem CID 65360904) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one
PubChem CID65360904
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2cccc3[nH]ccc23)CCCN1
InChIInChI=1S/C14H15N3O2/c18-13-9-17(8-2-6-16-13)14(19)11-3-1-4-12-10(11)5-7-15-12/h1,3-5,7,15H,2,6,8-9H2,(H,16,18)
InChIKeyULOIMYNJDBLXNL-UHFFFAOYSA-N
XLogP1.13
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
4-(quinoline-5-carbonyl)-1,4-diazepan-2-one
CID 62898516
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249
4-(6-amino-1H-indole-3-carbonyl)-1,4-diazepan-2-one
CID 65360926
4-[2-(3-aminopropoxy)-3-methoxybenzoyl]-1,4-diazepan-2-one
CID 118770092
2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one
CID 62897216
4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one
CID 62896513
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340
4-(3-bromobenzoyl)-1,4-diazepan-2-one
CID 62896483
4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one
CID 114372478

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one (CID 65360904) is 4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one is O=C1CN(C(=O)c2cccc3[nH]ccc23)CCCN1.
What is the InChIKey of 4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one?
The InChIKey is ULOIMYNJDBLXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13-9-17(8-2-6-16-13)14(19)11-3-1-4-12-10(11)5-7-15-12/h1,3-5,7,15H,2,6,8-9H2,(H,16,18).
What are the key properties of 4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one?
4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 65360904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).