11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione

C23H27N3O2 — CID 163455724

IUPAC11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione
SMILESCN1C(=O)c2ccccc2N(CCCN2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-24-20-12-5-3-10-18(20)23(28)26(17-9-16-25-14-7-2-8-15-25)21-13-6-4-11-19(21)22(24)27/h3-6,10-13H,2,7-9,14-17H2,1H3
InChIKeyBKHIOAGOWZISDU-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.80
Rot. Bonds4

About 11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione

11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione (PubChem CID 163455724) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione.

Molecular Properties

Compound Name11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione
PubChem CID163455724
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione
SMILESCN1C(=O)c2ccccc2N(CCCN2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-24-20-12-5-3-10-18(20)23(28)26(17-9-16-25-14-7-2-8-15-25)21-13-6-4-11-19(21)22(24)27/h3-6,10-13H,2,7-9,14-17H2,1H3
InChIKeyBKHIOAGOWZISDU-UHFFFAOYSA-N
XLogP3.80
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride
CID 21438325
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
CID 116619002
1-(4-piperidin-1-ylbutyl)-3,4-dihydro-1-benzazepine-2,5-dione
CID 68585872
11-[3-(4-methylpiperazin-1-yl)propyl]-5-prop-2-enylbenzo[c][1,5]benzodiazocine-6,12-dione
CID 170859570
2-(8-bromooctyl)isoindole-1,3-dione;2-(8-piperidin-1-yloctyl)isoindole-1,3-dione
CID 19933508
1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione
CID 23363916
(3R)-1-[3-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)propyl]piperidine-3-carboxylic acid
CID 22880167
2-[3-(4-acetylpiperazin-1-yl)propyl]isoindole-1,3-dione
CID 29230770
(6aS)-5-(2-pyrrolidin-1-ylethyl)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 46960137
1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione
CID 20502550
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637

Frequently Asked Questions

What is the IUPAC name of 11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione?
The IUPAC name of 11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione (CID 163455724) is 11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione.
What is the SMILES notation for 11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione?
The canonical SMILES for 11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione is CN1C(=O)c2ccccc2N(CCCN2CCCCC2)C(=O)c2ccccc21.
What is the InChIKey of 11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione?
The InChIKey is BKHIOAGOWZISDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-24-20-12-5-3-10-18(20)23(28)26(17-9-16-25-14-7-2-8-15-25)21-13-6-4-11-19(21)22(24)27/h3-6,10-13H,2,7-9,14-17H2,1H3.
What are the key properties of 11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione?
11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione has a molecular weight of 377.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione is sourced from PubChem (CID 163455724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).