2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C12H18N4O — CID 136920533

IUPAC2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESNC1CCCN(c2nc3c(c(=O)[nH]2)CCC3)C1
InChIInChI=1S/C12H18N4O/c13-8-3-2-6-16(7-8)12-14-10-5-1-4-9(10)11(17)15-12/h8H,1-7,13H2,(H,14,15,17)
InChIKeyNPBUCUOGWPZUCI-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.19
Rot. Bonds1

About 2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 136920533) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID136920533
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESNC1CCCN(c2nc3c(c(=O)[nH]2)CCC3)C1
InChIInChI=1S/C12H18N4O/c13-8-3-2-6-16(7-8)12-14-10-5-1-4-9(10)11(17)15-12/h8H,1-7,13H2,(H,14,15,17)
InChIKeyNPBUCUOGWPZUCI-UHFFFAOYSA-N
XLogP0.19
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 136920533) is 2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is NC1CCCN(c2nc3c(c(=O)[nH]2)CCC3)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is NPBUCUOGWPZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-8-3-2-6-16(7-8)12-14-10-5-1-4-9(10)11(17)15-12/h8H,1-7,13H2,(H,14,15,17).
What are the key properties of 2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 234.30 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 136920533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).