phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone

C18H22N4O — CID 2812699

IUPACphenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCCc1cnc(N2CCN(C(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C18H22N4O/c1-2-6-15-13-19-18(20-14-15)22-11-9-21(10-12-22)17(23)16-7-4-3-5-8-16/h3-5,7-8,13-14H,2,6,9-12H2,1H3
InChIKeyHHSPMCLIXCDFJQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.39
Rot. Bonds4

About phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone

phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 2812699) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID2812699
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Namephenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCCc1cnc(N2CCN(C(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C18H22N4O/c1-2-6-15-13-19-18(20-14-15)22-11-9-21(10-12-22)17(23)16-7-4-3-5-8-16/h3-5,7-8,13-14H,2,6,9-12H2,1H3
InChIKeyHHSPMCLIXCDFJQ-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 2812699) is phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone is CCCc1cnc(N2CCN(C(=O)c3ccccc3)CC2)nc1.
What is the InChIKey of phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is HHSPMCLIXCDFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-6-15-13-19-18(20-14-15)22-11-9-21(10-12-22)17(23)16-7-4-3-5-8-16/h3-5,7-8,13-14H,2,6,9-12H2,1H3.
What are the key properties of phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2812699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).