2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one

C17H28N6O2 — CID 136822814

IUPAC2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCN1CCC[C@H](CCC(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1
InChIInChI=1S/C17H28N6O2/c1-21-6-2-3-13(12-21)4-5-16(25)23-9-7-22(8-10-23)14-11-15(24)20-17(18)19-14/h11,13H,2-10,12H2,1H3,(H3,18,19,20,24)/t13-/m1/s1
InChIKeyQYXSXLWEABANJI-CYBMUJFWSA-N
MW348.45 g/mol
LogP0.12
Rot. Bonds4

About 2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136822814) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136822814
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCN1CCC[C@H](CCC(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1
InChIInChI=1S/C17H28N6O2/c1-21-6-2-3-13(12-21)4-5-16(25)23-9-7-22(8-10-23)14-11-15(24)20-17(18)19-14/h11,13H,2-10,12H2,1H3,(H3,18,19,20,24)/t13-/m1/s1
InChIKeyQYXSXLWEABANJI-CYBMUJFWSA-N
XLogP0.12
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 136822814) is 2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one is CN1CCC[C@H](CCC(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1.
What is the InChIKey of 2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is QYXSXLWEABANJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-21-6-2-3-13(12-21)4-5-16(25)23-9-7-22(8-10-23)14-11-15(24)20-17(18)19-14/h11,13H,2-10,12H2,1H3,(H3,18,19,20,24)/t13-/m1/s1.
What are the key properties of 2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 348.45 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136822814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).