4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one

C19H26N8O2 — CID 53383694

IUPAC4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
SMILESO=C1Nc2ccccc2-n2nnnc2C1N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C19H26N8O2/c28-19-17(18-21-22-23-27(18)16-4-2-1-3-15(16)20-19)26-9-7-24(8-10-26)5-6-25-11-13-29-14-12-25/h1-4,17H,5-14H2,(H,20,28)
InChIKeyQUZCXLBPHHKERK-UHFFFAOYSA-N
MW398.47 g/mol
LogP-0.39
Rot. Bonds4

About 4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one

4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one (PubChem CID 53383694) has the molecular formula C19H26N8O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
PubChem CID53383694
Molecular FormulaC19H26N8O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Name4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
SMILESO=C1Nc2ccccc2-n2nnnc2C1N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C19H26N8O2/c28-19-17(18-21-22-23-27(18)16-4-2-1-3-15(16)20-19)26-9-7-24(8-10-26)5-6-25-11-13-29-14-12-25/h1-4,17H,5-14H2,(H,20,28)
InChIKeyQUZCXLBPHHKERK-UHFFFAOYSA-N
XLogP-0.39
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-(4-Fluorophenyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
CID 53383688
4-[4-(4-Methylphenyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
CID 53383690
4-[4-(Oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
CID 53383692
4-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
CID 53383693
4-(Piperidin-1-yl)-4H-benzo[b]tetrazolo[1,5-d][1,4]diazepin-5(6H)-one
CID 139080339
2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 16342342
1-Morpholin-4-yl-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 24492317
N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 24507261
2-Morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30416235
N-[3-(5-methyl-1H-tetrazol-1-yl)phenyl]-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 49654458
N-[3-(5-methyl-1H-tetrazol-1-yl)phenyl]-N'-[2-(morpholin-4-yl)ethyl]ethanediamide
CID 49654606
2-(3-morpholinyl)-N-[(1-phenyl-1H-tetrazol-5-yl)methyl]acetamide
CID 56886105

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The IUPAC name of 4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one (CID 53383694) is 4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one.
What is the SMILES notation for 4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The canonical SMILES for 4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one is O=C1Nc2ccccc2-n2nnnc2C1N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The InChIKey is QUZCXLBPHHKERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O2/c28-19-17(18-21-22-23-27(18)16-4-2-1-3-15(16)20-19)26-9-7-24(8-10-26)5-6-25-11-13-29-14-12-25/h1-4,17H,5-14H2,(H,20,28).
What are the key properties of 4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one has a molecular weight of 398.47 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one is sourced from PubChem (CID 53383694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).