(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone

C16H25N5O — CID 53102129

IUPAC(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCc1ccnc(N2CCC(C(=O)N3CCN(C)CC3)CC2)n1
InChIInChI=1S/C16H25N5O/c1-13-3-6-17-16(18-13)21-7-4-14(5-8-21)15(22)20-11-9-19(2)10-12-20/h3,6,14H,4-5,7-12H2,1-2H3
InChIKeyXRDYSXKMXQEVAR-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.78
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone

(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone (PubChem CID 53102129) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
PubChem CID53102129
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCc1ccnc(N2CCC(C(=O)N3CCN(C)CC3)CC2)n1
InChIInChI=1S/C16H25N5O/c1-13-3-6-17-16(18-13)21-7-4-14(5-8-21)15(22)20-11-9-19(2)10-12-20/h3,6,14H,4-5,7-12H2,1-2H3
InChIKeyXRDYSXKMXQEVAR-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone (CID 53102129) is (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone is Cc1ccnc(N2CCC(C(=O)N3CCN(C)CC3)CC2)n1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The InChIKey is XRDYSXKMXQEVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13-3-6-17-16(18-13)21-7-4-14(5-8-21)15(22)20-11-9-19(2)10-12-20/h3,6,14H,4-5,7-12H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone has a molecular weight of 303.41 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53102129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).