(4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one

C14H16N6O — CID 139080340

IUPAC(4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
SMILESO=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCCCC1
InChIInChI=1S/C14H16N6O/c21-14-12(19-8-4-1-5-9-19)13-16-17-18-20(13)11-7-3-2-6-10(11)15-14/h2-3,6-7,12H,1,4-5,8-9H2,(H,15,21)/t12-/m0/s1
InChIKeySAZIFFALLDDGIL-LBPRGKRZSA-N
MW284.32 g/mol
LogP1.14
Rot. Bonds1

About (4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one

(4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one (PubChem CID 139080340) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is (4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name(4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
PubChem CID139080340
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name(4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
SMILESO=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCCCC1
InChIInChI=1S/C14H16N6O/c21-14-12(19-8-4-1-5-9-19)13-16-17-18-20(13)11-7-3-2-6-10(11)15-14/h2-3,6-7,12H,1,4-5,8-9H2,(H,15,21)/t12-/m0/s1
InChIKeySAZIFFALLDDGIL-LBPRGKRZSA-N
XLogP1.14
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The IUPAC name of (4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one (CID 139080340) is (4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one.
What is the SMILES notation for (4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The canonical SMILES for (4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one is O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCCCC1.
What is the InChIKey of (4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The InChIKey is SAZIFFALLDDGIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N6O/c21-14-12(19-8-4-1-5-9-19)13-16-17-18-20(13)11-7-3-2-6-10(11)15-14/h2-3,6-7,12H,1,4-5,8-9H2,(H,15,21)/t12-/m0/s1.
What are the key properties of (4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
(4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one has a molecular weight of 284.32 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-piperidin-1-yl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one is sourced from PubChem (CID 139080340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).