11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

C20H22N4O2 — CID 14054142

IUPAC11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN1CCCCC1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21
InChIInChI=1S/C20H22N4O2/c1-23-12-5-4-7-14(23)13-18(25)24-17-10-3-2-8-15(17)20(26)22-16-9-6-11-21-19(16)24/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3,(H,22,26)
InChIKeyLBJMHPIVBXUBLY-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.19
Rot. Bonds2

About 11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 14054142) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
PubChem CID14054142
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN1CCCCC1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21
InChIInChI=1S/C20H22N4O2/c1-23-12-5-4-7-14(23)13-18(25)24-17-10-3-2-8-15(17)20(26)22-16-9-6-11-21-19(16)24/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3,(H,22,26)
InChIKeyLBJMHPIVBXUBLY-UHFFFAOYSA-N
XLogP3.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The IUPAC name of 11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (CID 14054142) is 11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The canonical SMILES for 11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is CN1CCCCC1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21.
What is the InChIKey of 11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The InChIKey is LBJMHPIVBXUBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-12-5-4-7-14(23)13-18(25)24-17-10-3-2-8-15(17)20(26)22-16-9-6-11-21-19(16)24/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3,(H,22,26).
What are the key properties of 11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 350.42 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(1-methylpiperidin-2-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14054142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).