5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

C16H25N5O2 — CID 77078543

IUPAC5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCN1CCC(N2CCN(C(=O)Cc3cnc[nH]c3=O)CC2)CC1
InChIInChI=1S/C16H25N5O2/c1-19-4-2-14(3-5-19)20-6-8-21(9-7-20)15(22)10-13-11-17-12-18-16(13)23/h11-12,14H,2-10H2,1H3,(H,17,18,23)
InChIKeyBIVHZUKBYUYTJG-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.45
Rot. Bonds3

About 5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (PubChem CID 77078543) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
PubChem CID77078543
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCN1CCC(N2CCN(C(=O)Cc3cnc[nH]c3=O)CC2)CC1
InChIInChI=1S/C16H25N5O2/c1-19-4-2-14(3-5-19)20-6-8-21(9-7-20)15(22)10-13-11-17-12-18-16(13)23/h11-12,14H,2-10H2,1H3,(H,17,18,23)
InChIKeyBIVHZUKBYUYTJG-UHFFFAOYSA-N
XLogP-0.45
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (CID 77078543) is 5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is CN1CCC(N2CCN(C(=O)Cc3cnc[nH]c3=O)CC2)CC1.
What is the InChIKey of 5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The InChIKey is BIVHZUKBYUYTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-19-4-2-14(3-5-19)20-6-8-21(9-7-20)15(22)10-13-11-17-12-18-16(13)23/h11-12,14H,2-10H2,1H3,(H,17,18,23).
What are the key properties of 5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one has a molecular weight of 319.41 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 77078543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).