1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one

C23H25N3O2 — CID 36615779

IUPAC1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one
SMILESO=C(CCn1ccc2ccccc21)N1CCCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c27-22(12-16-24-15-11-19-7-4-5-10-21(19)24)25-13-6-14-26(18-17-25)23(28)20-8-2-1-3-9-20/h1-5,7-11,15H,6,12-14,16-18H2
InChIKeyGQQCOZZOVHXOAN-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.41
Rot. Bonds4

About 1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one

1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one (PubChem CID 36615779) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one
PubChem CID36615779
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one
SMILESO=C(CCn1ccc2ccccc21)N1CCCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c27-22(12-16-24-15-11-19-7-4-5-10-21(19)24)25-13-6-14-26(18-17-25)23(28)20-8-2-1-3-9-20/h1-5,7-11,15H,6,12-14,16-18H2
InChIKeyGQQCOZZOVHXOAN-UHFFFAOYSA-N
XLogP3.41
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one?
The IUPAC name of 1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one (CID 36615779) is 1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one is O=C(CCn1ccc2ccccc21)N1CCCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one?
The InChIKey is GQQCOZZOVHXOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22(12-16-24-15-11-19-7-4-5-10-21(19)24)25-13-6-14-26(18-17-25)23(28)20-8-2-1-3-9-20/h1-5,7-11,15H,6,12-14,16-18H2.
What are the key properties of 1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one?
1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one has a molecular weight of 375.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one is sourced from PubChem (CID 36615779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).