3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C17H24N2O2 — CID 103313893

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1N1CCCCC1CCO
InChIInChI=1S/C17H24N2O2/c20-12-10-14-6-3-4-11-19(14)16-9-8-13-5-1-2-7-15(13)18-17(16)21/h1-2,5,7,14,16,20H,3-4,6,8-12H2,(H,18,21)
InChIKeyGNFMQGGKAVEBMO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.18
Rot. Bonds3

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103313893) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103313893
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1N1CCCCC1CCO
InChIInChI=1S/C17H24N2O2/c20-12-10-14-6-3-4-11-19(14)16-9-8-13-5-1-2-7-15(13)18-17(16)21/h1-2,5,7,14,16,20H,3-4,6,8-12H2,(H,18,21)
InChIKeyGNFMQGGKAVEBMO-UHFFFAOYSA-N
XLogP2.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103313893) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1Nc2ccccc2CCC1N1CCCCC1CCO.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is GNFMQGGKAVEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-12-10-14-6-3-4-11-19(14)16-9-8-13-5-1-2-7-15(13)18-17(16)21/h1-2,5,7,14,16,20H,3-4,6,8-12H2,(H,18,21).
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103313893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).