[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C22H28N4O — CID 24794243

IUPAC[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)c3ccccn3)C2)CC1
InChIInChI=1S/C22H28N4O/c1-18-7-2-3-10-21(18)25-15-13-24(14-16-25)19-8-6-12-26(17-19)22(27)20-9-4-5-11-23-20/h2-5,7,9-11,19H,6,8,12-17H2,1H3
InChIKeyFMMQGUPTTAYSCU-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.82
Rot. Bonds3

About [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 24794243) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID24794243
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)c3ccccn3)C2)CC1
InChIInChI=1S/C22H28N4O/c1-18-7-2-3-10-21(18)25-15-13-24(14-16-25)19-8-6-12-26(17-19)22(27)20-9-4-5-11-23-20/h2-5,7,9-11,19H,6,8,12-17H2,1H3
InChIKeyFMMQGUPTTAYSCU-UHFFFAOYSA-N
XLogP2.82
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 24794243) is [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is Cc1ccccc1N1CCN(C2CCCN(C(=O)c3ccccn3)C2)CC1.
What is the InChIKey of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is FMMQGUPTTAYSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-18-7-2-3-10-21(18)25-15-13-24(14-16-25)19-8-6-12-26(17-19)22(27)20-9-4-5-11-23-20/h2-5,7,9-11,19H,6,8,12-17H2,1H3.
What are the key properties of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 364.49 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 24794243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).