5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one

C17H27N5O2 — CID 135515953

IUPAC5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(C(=O)N3CCCCC3)CC2)[nH]c1=O
InChIInChI=1S/C17H27N5O2/c1-3-14-13(2)18-16(19-15(14)23)20-9-11-22(12-10-20)17(24)21-7-5-4-6-8-21/h3-12H2,1-2H3,(H,18,19,23)
InChIKeyJTPGDDJSBXMSNU-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.37
Rot. Bonds2

About 5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135515953) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135515953
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(C(=O)N3CCCCC3)CC2)[nH]c1=O
InChIInChI=1S/C17H27N5O2/c1-3-14-13(2)18-16(19-15(14)23)20-9-11-22(12-10-20)17(24)21-7-5-4-6-8-21/h3-12H2,1-2H3,(H,18,19,23)
InChIKeyJTPGDDJSBXMSNU-UHFFFAOYSA-N
XLogP1.37
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 135515953) is 5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is CCc1c(C)nc(N2CCN(C(=O)N3CCCCC3)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JTPGDDJSBXMSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-14-13(2)18-16(19-15(14)23)20-9-11-22(12-10-20)17(24)21-7-5-4-6-8-21/h3-12H2,1-2H3,(H,18,19,23).
What are the key properties of 5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 333.44 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135515953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).