3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one

C12H17N3OS — CID 91480478

IUPAC3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one
SMILESO=C1Nc2sccc2CCN1C1CCNCC1
InChIInChI=1S/C12H17N3OS/c16-12-14-11-9(4-8-17-11)3-7-15(12)10-1-5-13-6-2-10/h4,8,10,13H,1-3,5-7H2,(H,14,16)
InChIKeyZATPMKGGCPVPLN-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.89
Rot. Bonds1

About 3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one

3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one (PubChem CID 91480478) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one.

Molecular Properties

Compound Name3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one
PubChem CID91480478
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one
SMILESO=C1Nc2sccc2CCN1C1CCNCC1
InChIInChI=1S/C12H17N3OS/c16-12-14-11-9(4-8-17-11)3-7-15(12)10-1-5-13-6-2-10/h4,8,10,13H,1-3,5-7H2,(H,14,16)
InChIKeyZATPMKGGCPVPLN-UHFFFAOYSA-N
XLogP1.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one?
The IUPAC name of 3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one (CID 91480478) is 3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one.
What is the SMILES notation for 3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one?
The canonical SMILES for 3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one is O=C1Nc2sccc2CCN1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one?
The InChIKey is ZATPMKGGCPVPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-12-14-11-9(4-8-17-11)3-7-15(12)10-1-5-13-6-2-10/h4,8,10,13H,1-3,5-7H2,(H,14,16).
What are the key properties of 3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one?
3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one has a molecular weight of 251.35 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-4,5-dihydro-1H-thieno[2,3-d][1,3]diazepin-2-one is sourced from PubChem (CID 91480478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).