7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C17H24N2O2 — CID 161338554

IUPAC7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCOc1ccc2c(c1)CCC(CC1CCNCC1)C(=O)N2
InChIInChI=1S/C17H24N2O2/c1-21-15-4-5-16-13(11-15)2-3-14(17(20)19-16)10-12-6-8-18-9-7-12/h4-5,11-12,14,18H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyVMJCKHNEOPRAMV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.59
Rot. Bonds3

About 7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 161338554) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID161338554
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCOc1ccc2c(c1)CCC(CC1CCNCC1)C(=O)N2
InChIInChI=1S/C17H24N2O2/c1-21-15-4-5-16-13(11-15)2-3-14(17(20)19-16)10-12-6-8-18-9-7-12/h4-5,11-12,14,18H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyVMJCKHNEOPRAMV-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 161338554) is 7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is COc1ccc2c(c1)CCC(CC1CCNCC1)C(=O)N2.
What is the InChIKey of 7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is VMJCKHNEOPRAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-15-4-5-16-13(11-15)2-3-14(17(20)19-16)10-12-6-8-18-9-7-12/h4-5,11-12,14,18H,2-3,6-10H2,1H3,(H,19,20).
What are the key properties of 7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 161338554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).