(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone

C16H25N5O — CID 53102029

IUPAC(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone
SMILESCc1ccnc(N2CCCC(C(=O)N3CCN(C)CC3)C2)n1
InChIInChI=1S/C16H25N5O/c1-13-5-6-17-16(18-13)21-7-3-4-14(12-21)15(22)20-10-8-19(2)9-11-20/h5-6,14H,3-4,7-12H2,1-2H3
InChIKeyPVAADFQOQPVXOK-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.78
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone

(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone (PubChem CID 53102029) 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-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone
PubChem CID53102029
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone
SMILESCc1ccnc(N2CCCC(C(=O)N3CCN(C)CC3)C2)n1
InChIInChI=1S/C16H25N5O/c1-13-5-6-17-16(18-13)21-7-3-4-14(12-21)15(22)20-10-8-19(2)9-11-20/h5-6,14H,3-4,7-12H2,1-2H3
InChIKeyPVAADFQOQPVXOK-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-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone (CID 53102029) is (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone is Cc1ccnc(N2CCCC(C(=O)N3CCN(C)CC3)C2)n1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone?
The InChIKey is PVAADFQOQPVXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13-5-6-17-16(18-13)21-7-3-4-14(12-21)15(22)20-10-8-19(2)9-11-20/h5-6,14H,3-4,7-12H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanone?
(4-methylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-3-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-3-yl]methanone is sourced from PubChem (CID 53102029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).