11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

C23H29N5O2 — CID 14369633

IUPAC11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN(C)CCCC1CCCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1
InChIInChI=1S/C23H29N5O2/c1-26(2)14-6-8-17-9-7-15-27(16-17)23(30)28-20-12-4-3-10-18(20)22(29)25-19-11-5-13-24-21(19)28/h3-5,10-13,17H,6-9,14-16H2,1-2H3,(H,25,29)
InChIKeyFFRDQTYTZIFADE-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.96
Rot. Bonds4

About 11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 14369633) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
PubChem CID14369633
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN(C)CCCC1CCCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1
InChIInChI=1S/C23H29N5O2/c1-26(2)14-6-8-17-9-7-15-27(16-17)23(30)28-20-12-4-3-10-18(20)22(29)25-19-11-5-13-24-21(19)28/h3-5,10-13,17H,6-9,14-16H2,1-2H3,(H,25,29)
InChIKeyFFRDQTYTZIFADE-UHFFFAOYSA-N
XLogP3.96
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one with MolForge

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Related Compounds

11-[3-[2-(dibutylamino)ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
CID 23048776
11-[3-(2-pyrrolidin-1-ylethyl)azepane-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
CID 54275556
2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one
CID 23048781
N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide
CID 14374305
11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14054136
11-[2-[3-(3-piperidin-1-ylpropyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14374306
11-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 15106905
11-[6-[cyclohexyl(methyl)amino]hexanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 15924290
11-[4-[3-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 15925629
11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 67888237
N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide
CID 19804226
11-(1-methyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 19801656

Frequently Asked Questions

What is the IUPAC name of 11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The IUPAC name of 11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (CID 14369633) is 11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The canonical SMILES for 11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is CN(C)CCCC1CCCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1.
What is the InChIKey of 11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The InChIKey is FFRDQTYTZIFADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-26(2)14-6-8-17-9-7-15-27(16-17)23(30)28-20-12-4-3-10-18(20)22(29)25-19-11-5-13-24-21(19)28/h3-5,10-13,17H,6-9,14-16H2,1-2H3,(H,25,29).
What are the key properties of 11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 407.52 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14369633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).