6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide

C19H20N4O2 — CID 70385183

IUPAC6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide
SMILESO=C1Nc2ccccc2N(C(=O)NC2CCCNC2)c2ccccc21
InChIInChI=1S/C19H20N4O2/c24-18-14-7-1-3-9-16(14)23(17-10-4-2-8-15(17)22-18)19(25)21-13-6-5-11-20-12-13/h1-4,7-10,13,20H,5-6,11-12H2,(H,21,25)(H,22,24)
InChIKeyYQSCOWNYMPAJNH-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.85
Rot. Bonds1

About 6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide

6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide (PubChem CID 70385183) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide.

Molecular Properties

Compound Name6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide
PubChem CID70385183
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide
SMILESO=C1Nc2ccccc2N(C(=O)NC2CCCNC2)c2ccccc21
InChIInChI=1S/C19H20N4O2/c24-18-14-7-1-3-9-16(14)23(17-10-4-2-8-15(17)22-18)19(25)21-13-6-5-11-20-12-13/h1-4,7-10,13,20H,5-6,11-12H2,(H,21,25)(H,22,24)
InChIKeyYQSCOWNYMPAJNH-UHFFFAOYSA-N
XLogP2.85
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide?
The IUPAC name of 6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide (CID 70385183) is 6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide.
What is the SMILES notation for 6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide?
The canonical SMILES for 6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide is O=C1Nc2ccccc2N(C(=O)NC2CCCNC2)c2ccccc21.
What is the InChIKey of 6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide?
The InChIKey is YQSCOWNYMPAJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18-14-7-1-3-9-16(14)23(17-10-4-2-8-15(17)22-18)19(25)21-13-6-5-11-20-12-13/h1-4,7-10,13,20H,5-6,11-12H2,(H,21,25)(H,22,24).
What are the key properties of 6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide?
6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-piperidin-3-yl-5H-benzo[b][1,4]benzodiazepine-11-carboxamide is sourced from PubChem (CID 70385183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).