4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C12H17N3O — CID 110226348

IUPAC4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESO=c1cc(C2CCCNC2)n2c(n1)CCC2
InChIInChI=1S/C12H17N3O/c16-12-7-10(9-3-1-5-13-8-9)15-6-2-4-11(15)14-12/h7,9,13H,1-6,8H2
InChIKeyJIJPSEKKRXBPLM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.66
Rot. Bonds1

About 4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 110226348) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID110226348
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESO=c1cc(C2CCCNC2)n2c(n1)CCC2
InChIInChI=1S/C12H17N3O/c16-12-7-10(9-3-1-5-13-8-9)15-6-2-4-11(15)14-12/h7,9,13H,1-6,8H2
InChIKeyJIJPSEKKRXBPLM-UHFFFAOYSA-N
XLogP0.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136245581
2-Methyl-6-(piperidin-4-yl)pyrimidin-4-ol
CID 135876445
2-(3-methylbutyl)-6-(1-methylpiperidin-3-yl)pyrimidin-4(3H)-one
CID 135876481
2-Methyl-6-(piperidin-3-yl)pyrimidin-4-ol
CID 136072571
4-methyl-2-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136483015
2-methyl-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136483017
2-[1-amino-3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one
CID 173814725
8-Amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83888986
8-Amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83890212
3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92595743
3-methyl-4-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92595745
4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110226318

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 110226348) is 4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is O=c1cc(C2CCCNC2)n2c(n1)CCC2.
What is the InChIKey of 4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is JIJPSEKKRXBPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12-7-10(9-3-1-5-13-8-9)15-6-2-4-11(15)14-12/h7,9,13H,1-6,8H2.
What are the key properties of 4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 110226348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).