3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C13H19N3O — CID 82105310

IUPAC3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CC1CCNCC1)CCC2
InChIInChI=1S/C13H19N3O/c17-13-11-2-1-3-12(11)15-9-16(13)8-10-4-6-14-7-5-10/h9-10,14H,1-8H2
InChIKeyAJVOPZGZEYDXNL-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.73
Rot. Bonds2

About 3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 82105310) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID82105310
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CC1CCNCC1)CCC2
InChIInChI=1S/C13H19N3O/c17-13-11-2-1-3-12(11)15-9-16(13)8-10-4-6-14-7-5-10/h9-10,14H,1-8H2
InChIKeyAJVOPZGZEYDXNL-UHFFFAOYSA-N
XLogP0.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.73
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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 82105310) is 3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is O=c1c2c(ncn1CC1CCNCC1)CCC2.
What is the InChIKey of 3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is AJVOPZGZEYDXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13-11-2-1-3-12(11)15-9-16(13)8-10-4-6-14-7-5-10/h9-10,14H,1-8H2.
What are the key properties of 3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 0.73, 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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 82105310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).