9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide

C23H35N3O2 — CID 123563182

IUPAC9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
SMILESCCc1c(C(=O)NCCOC)ccc2c1=CN(CC1CCNCC1)C(C)CC=2
InChIInChI=1S/C23H35N3O2/c1-4-20-21(23(27)25-13-14-28-3)8-7-19-6-5-17(2)26(16-22(19)20)15-18-9-11-24-12-10-18/h6-8,16-18,24H,4-5,9-15H2,1-3H3,(H,25,27)
InChIKeyFZVAYDSSZBBEDS-UHFFFAOYSA-N
MW385.55 g/mol
LogP1.24
Rot. Bonds7

About 9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide

9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide (PubChem CID 123563182) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide.

Molecular Properties

Compound Name9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
PubChem CID123563182
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
SMILESCCc1c(C(=O)NCCOC)ccc2c1=CN(CC1CCNCC1)C(C)CC=2
InChIInChI=1S/C23H35N3O2/c1-4-20-21(23(27)25-13-14-28-3)8-7-19-6-5-17(2)26(16-22(19)20)15-18-9-11-24-12-10-18/h6-8,16-18,24H,4-5,9-15H2,1-3H3,(H,25,27)
InChIKeyFZVAYDSSZBBEDS-UHFFFAOYSA-N
XLogP1.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide?
The IUPAC name of 9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide (CID 123563182) is 9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide.
What is the SMILES notation for 9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide?
The canonical SMILES for 9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide is CCc1c(C(=O)NCCOC)ccc2c1=CN(CC1CCNCC1)C(C)CC=2.
What is the InChIKey of 9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide?
The InChIKey is FZVAYDSSZBBEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-4-20-21(23(27)25-13-14-28-3)8-7-19-6-5-17(2)26(16-22(19)20)15-18-9-11-24-12-10-18/h6-8,16-18,24H,4-5,9-15H2,1-3H3,(H,25,27).
What are the key properties of 9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide?
9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide is sourced from PubChem (CID 123563182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).