cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone

C16H24N4O — CID 108755282

IUPACcyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3CCCCC3)CC2)ncn1
InChIInChI=1S/C16H24N4O/c1-13-11-15(18-12-17-13)19-7-9-20(10-8-19)16(21)14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3
InChIKeyREHGSQXJHHDMRW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds2

About cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone

cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 108755282) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID108755282
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namecyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3CCCCC3)CC2)ncn1
InChIInChI=1S/C16H24N4O/c1-13-11-15(18-12-17-13)19-7-9-20(10-8-19)16(21)14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3
InChIKeyREHGSQXJHHDMRW-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 108755282) is cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)C3CCCCC3)CC2)ncn1.
What is the InChIKey of cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is REHGSQXJHHDMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-11-15(18-12-17-13)19-7-9-20(10-8-19)16(21)14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3.
What are the key properties of cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108755282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).