(4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

C21H33N5O — CID 50831560

IUPAC(4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCN(c2nccc(C(=O)N3CCN(C4CCCCC4)CC3)n2)CC1
InChIInChI=1S/C21H33N5O/c1-17-8-11-26(12-9-17)21-22-10-7-19(23-21)20(27)25-15-13-24(14-16-25)18-5-3-2-4-6-18/h7,10,17-18H,2-6,8-9,11-16H2,1H3
InChIKeyOBJMVCAEGXVOMA-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.80
Rot. Bonds3

About (4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (PubChem CID 50831560) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
PubChem CID50831560
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCN(c2nccc(C(=O)N3CCN(C4CCCCC4)CC3)n2)CC1
InChIInChI=1S/C21H33N5O/c1-17-8-11-26(12-9-17)21-22-10-7-19(23-21)20(27)25-15-13-24(14-16-25)18-5-3-2-4-6-18/h7,10,17-18H,2-6,8-9,11-16H2,1H3
InChIKeyOBJMVCAEGXVOMA-UHFFFAOYSA-N
XLogP2.80
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.80
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)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (CID 50831560) is (4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is CC1CCN(c2nccc(C(=O)N3CCN(C4CCCCC4)CC3)n2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The InChIKey is OBJMVCAEGXVOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-17-8-11-26(12-9-17)21-22-10-7-19(23-21)20(27)25-15-13-24(14-16-25)18-5-3-2-4-6-18/h7,10,17-18H,2-6,8-9,11-16H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone has a molecular weight of 371.53 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 50831560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).