[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone

C24H35N3O3 — CID 10093180

IUPAC[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1
InChIInChI=1S/C24H35N3O3/c28-24(27-14-16-29-17-15-27)26-12-8-22(9-13-26)30-23-5-4-19-6-10-25(21-2-1-3-21)11-7-20(19)18-23/h4-5,18,21-22H,1-3,6-17H2
InChIKeyOUOODRHJKJOHAV-UHFFFAOYSA-N
MW413.56 g/mol
LogP2.94
Rot. Bonds3

About [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone

[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 10093180) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID10093180
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1
InChIInChI=1S/C24H35N3O3/c28-24(27-14-16-29-17-15-27)26-12-8-22(9-13-26)30-23-5-4-19-6-10-25(21-2-1-3-21)11-7-20(19)18-23/h4-5,18,21-22H,1-3,6-17H2
InChIKeyOUOODRHJKJOHAV-UHFFFAOYSA-N
XLogP2.94
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone (CID 10093180) is [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1.
What is the InChIKey of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is OUOODRHJKJOHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c28-24(27-14-16-29-17-15-27)26-12-8-22(9-13-26)30-23-5-4-19-6-10-25(21-2-1-3-21)11-7-20(19)18-23/h4-5,18,21-22H,1-3,6-17H2.
What are the key properties of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 413.56 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 10093180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).