1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide

C15H20N4O2 — CID 103313805

IUPAC1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C1CCc2ccccc2NC1=O
InChIInChI=1S/C15H20N4O2/c16-14(20)13-9-17-7-8-19(13)12-6-5-10-3-1-2-4-11(10)18-15(12)21/h1-4,12-13,17H,5-9H2,(H2,16,20)(H,18,21)
InChIKeyBQBZYSJHJINQEL-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.30
Rot. Bonds2

About 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide

1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide (PubChem CID 103313805) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide
PubChem CID103313805
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C1CCc2ccccc2NC1=O
InChIInChI=1S/C15H20N4O2/c16-14(20)13-9-17-7-8-19(13)12-6-5-10-3-1-2-4-11(10)18-15(12)21/h1-4,12-13,17H,5-9H2,(H2,16,20)(H,18,21)
InChIKeyBQBZYSJHJINQEL-UHFFFAOYSA-N
XLogP-0.30
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide?
The IUPAC name of 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide (CID 103313805) is 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide?
The canonical SMILES for 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide is NC(=O)C1CNCCN1C1CCc2ccccc2NC1=O.
What is the InChIKey of 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide?
The InChIKey is BQBZYSJHJINQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-14(20)13-9-17-7-8-19(13)12-6-5-10-3-1-2-4-11(10)18-15(12)21/h1-4,12-13,17H,5-9H2,(H2,16,20)(H,18,21).
What are the key properties of 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide?
1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-2-carboxamide is sourced from PubChem (CID 103313805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).