3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine

C23H30N4O — CID 142911888

IUPAC3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1cc2c(cc1Oc1cncc(N3CCCCC3)n1)CCN(C1CCC1)CC2
InChIInChI=1S/C23H30N4O/c1-2-11-27(12-3-1)22-16-24-17-23(25-22)28-21-8-7-18-9-13-26(20-5-4-6-20)14-10-19(18)15-21/h7-8,15-17,20H,1-6,9-14H2
InChIKeyGVSOXDCLACPMNQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.21
Rot. Bonds4

About 3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine

3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 142911888) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID142911888
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1cc2c(cc1Oc1cncc(N3CCCCC3)n1)CCN(C1CCC1)CC2
InChIInChI=1S/C23H30N4O/c1-2-11-27(12-3-1)22-16-24-17-23(25-22)28-21-8-7-18-9-13-26(20-5-4-6-20)14-10-19(18)15-21/h7-8,15-17,20H,1-6,9-14H2
InChIKeyGVSOXDCLACPMNQ-UHFFFAOYSA-N
XLogP4.21
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine with MolForge

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Related Compounds

6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine
CID 10244844
1-cyclopropyl-4-[6-(4-fluorophenoxy)pyrazin-2-yl]-1,4-diazepane
CID 91432319
7-(5-bromopyrimidin-2-yl)oxy-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
CID 68507873
1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]azetidin-2-one
CID 10361356
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-2-carboxylic acid
CID 10246518
2-(4-cyclohexylpiperazin-1-yl)-6-methoxypyrazine
CID 171701805
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyrazine-2-carboxamide
CID 68506286
3-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-1H-pyridazin-6-one
CID 44540998
1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one
CID 10430564
6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
CID 10428924
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrimidine-2-carboxamide
CID 68506288
[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-cyclohexylmethanone
CID 68509579

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine (CID 142911888) is 3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine is c1cc2c(cc1Oc1cncc(N3CCCCC3)n1)CCN(C1CCC1)CC2.
What is the InChIKey of 3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is GVSOXDCLACPMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-11-27(12-3-1)22-16-24-17-23(25-22)28-21-8-7-18-9-13-26(20-5-4-6-20)14-10-19(18)15-21/h7-8,15-17,20H,1-6,9-14H2.
What are the key properties of 3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine?
3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 378.52 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 142911888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).