3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one

C14H21N3O — CID 82105311

IUPAC3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=c1c2c(ncn1CC1CCNCC1)CCCC2
InChIInChI=1S/C14H21N3O/c18-14-12-3-1-2-4-13(12)16-10-17(14)9-11-5-7-15-8-6-11/h10-11,15H,1-9H2
InChIKeyJBFXZYYIOAIBAR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.12
Rot. Bonds2

About 3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one

3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 82105311) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID82105311
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=c1c2c(ncn1CC1CCNCC1)CCCC2
InChIInChI=1S/C14H21N3O/c18-14-12-3-1-2-4-13(12)16-10-17(14)9-11-5-7-15-8-6-11/h10-11,15H,1-9H2
InChIKeyJBFXZYYIOAIBAR-UHFFFAOYSA-N
XLogP1.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one (CID 82105311) is 3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one is O=c1c2c(ncn1CC1CCNCC1)CCCC2.
What is the InChIKey of 3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is JBFXZYYIOAIBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14-12-3-1-2-4-13(12)16-10-17(14)9-11-5-7-15-8-6-11/h10-11,15H,1-9H2.
What are the key properties of 3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 247.34 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 82105311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).