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

C20H22N4O2 — CID 13269694

IUPAC11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
InChIInChI=1S/C20H22N4O2/c1-23-11-8-14(9-12-23)13-18(25)24-17-7-3-2-5-15(17)20(26)22-16-6-4-10-21-19(16)24/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,26)
InChIKeyYRNTVQHZGLSVOX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.04
Rot. Bonds2

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

11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 13269694) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
PubChem CID13269694
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
InChIInChI=1S/C20H22N4O2/c1-23-11-8-14(9-12-23)13-18(25)24-17-7-3-2-5-15(17)20(26)22-16-6-4-10-21-19(16)24/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,26)
InChIKeyYRNTVQHZGLSVOX-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nevirapine
CID 4463
11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Pirenzepine Hydrochloride
CID 71405
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 120053
AQ-RA 741
CID 129989
Bibn 99
CID 132712
N-(5-amino-2-pyridinyl)-4-trifluoromethylbenzamide
CID 24752865
4-Aminobenzamidopyridine
CID 81976
Unii-O3pen5V8WL
CID 453331
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169

Frequently Asked Questions

What is the IUPAC name of 11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The IUPAC name of 11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (CID 13269694) is 11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The canonical SMILES for 11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.
What is the InChIKey of 11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The InChIKey is YRNTVQHZGLSVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-11-8-14(9-12-23)13-18(25)24-17-7-3-2-5-15(17)20(26)22-16-6-4-10-21-19(16)24/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,26).
What are the key properties of 11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 350.42 g/mol, XLogP of 3.04, 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-4-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 13269694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).