3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one

C13H19N3O — CID 82105222

IUPAC3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=c1c2c(ncn1C1CCNCC1)CCCC2
InChIInChI=1S/C13H19N3O/c17-13-11-3-1-2-4-12(11)15-9-16(13)10-5-7-14-8-6-10/h9-10,14H,1-8H2
InChIKeyOXSQRJAXTHEPNB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.05
Rot. Bonds1

About 3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one

3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 82105222) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID82105222
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=c1c2c(ncn1C1CCNCC1)CCCC2
InChIInChI=1S/C13H19N3O/c17-13-11-3-1-2-4-12(11)15-9-16(13)10-5-7-14-8-6-10/h9-10,14H,1-8H2
InChIKeyOXSQRJAXTHEPNB-UHFFFAOYSA-N
XLogP1.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one (CID 82105222) is 3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one is O=c1c2c(ncn1C1CCNCC1)CCCC2.
What is the InChIKey of 3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is OXSQRJAXTHEPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13-11-3-1-2-4-12(11)15-9-16(13)10-5-7-14-8-6-10/h9-10,14H,1-8H2.
What are the key properties of 3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one?
3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 233.31 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 82105222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).