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

C20H26N6O — CID 53009993

IUPAC[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccnc(N2CCCC(C(=O)N3CCN(c4ccccn4)CC3)C2)n1
InChIInChI=1S/C20H26N6O/c1-16-7-9-22-20(23-16)26-10-4-5-17(15-26)19(27)25-13-11-24(12-14-25)18-6-2-3-8-21-18/h2-3,6-9,17H,4-5,10-15H2,1H3
InChIKeyFFPAXNCCEAOIIH-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.75
Rot. Bonds3

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

[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 53009993) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID53009993
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccnc(N2CCCC(C(=O)N3CCN(c4ccccn4)CC3)C2)n1
InChIInChI=1S/C20H26N6O/c1-16-7-9-22-20(23-16)26-10-4-5-17(15-26)19(27)25-13-11-24(12-14-25)18-6-2-3-8-21-18/h2-3,6-9,17H,4-5,10-15H2,1H3
InChIKeyFFPAXNCCEAOIIH-UHFFFAOYSA-N
XLogP1.75
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 53009993) is [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1ccnc(N2CCCC(C(=O)N3CCN(c4ccccn4)CC3)C2)n1.
What is the InChIKey of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FFPAXNCCEAOIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-16-7-9-22-20(23-16)26-10-4-5-17(15-26)19(27)25-13-11-24(12-14-25)18-6-2-3-8-21-18/h2-3,6-9,17H,4-5,10-15H2,1H3.
What are the key properties of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 366.47 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53009993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).