(3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C20H29N3O2 — CID 124829575

IUPAC(3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CC[C@H]1N1CCCC[C@H]1CN1CCOCC1
InChIInChI=1S/C20H29N3O2/c24-20-19(9-8-16-5-1-2-7-18(16)21-20)23-10-4-3-6-17(23)15-22-11-13-25-14-12-22/h1-2,5,7,17,19H,3-4,6,8-15H2,(H,21,24)/t17-,19+/m0/s1
InChIKeyRHPOISPNLUVEGD-PKOBYXMFSA-N
MW343.47 g/mol
LogP2.13
Rot. Bonds3

About (3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

(3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 124829575) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name(3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID124829575
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CC[C@H]1N1CCCC[C@H]1CN1CCOCC1
InChIInChI=1S/C20H29N3O2/c24-20-19(9-8-16-5-1-2-7-18(16)21-20)23-10-4-3-6-17(23)15-22-11-13-25-14-12-22/h1-2,5,7,17,19H,3-4,6,8-15H2,(H,21,24)/t17-,19+/m0/s1
InChIKeyRHPOISPNLUVEGD-PKOBYXMFSA-N
XLogP2.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of (3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 124829575) is (3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for (3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for (3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1Nc2ccccc2CC[C@H]1N1CCCC[C@H]1CN1CCOCC1.
What is the InChIKey of (3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is RHPOISPNLUVEGD-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20-19(9-8-16-5-1-2-7-18(16)21-20)23-10-4-3-6-17(23)15-22-11-13-25-14-12-22/h1-2,5,7,17,19H,3-4,6,8-15H2,(H,21,24)/t17-,19+/m0/s1.
What are the key properties of (3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
(3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 343.47 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 124829575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).