(4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone

C17H26N4O2 — CID 121167693

IUPAC(4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone
SMILESCCOc1cc(C(=O)N2CCN(C3CCCCC3)CC2)ncn1
InChIInChI=1S/C17H26N4O2/c1-2-23-16-12-15(18-13-19-16)17(22)21-10-8-20(9-11-21)14-6-4-3-5-7-14/h12-14H,2-11H2,1H3
InChIKeyWRYRUJMKYSZXST-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.97
Rot. Bonds4

About (4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone (PubChem CID 121167693) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone
PubChem CID121167693
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone
SMILESCCOc1cc(C(=O)N2CCN(C3CCCCC3)CC2)ncn1
InChIInChI=1S/C17H26N4O2/c1-2-23-16-12-15(18-13-19-16)17(22)21-10-8-20(9-11-21)14-6-4-3-5-7-14/h12-14H,2-11H2,1H3
InChIKeyWRYRUJMKYSZXST-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone (CID 121167693) is (4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone is CCOc1cc(C(=O)N2CCN(C3CCCCC3)CC2)ncn1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone?
The InChIKey is WRYRUJMKYSZXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-23-16-12-15(18-13-19-16)17(22)21-10-8-20(9-11-21)14-6-4-3-5-7-14/h12-14H,2-11H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 121167693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).