(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H19N3O — CID 706998

IUPAC(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H19N3O/c1-14-5-7-15(8-6-14)17(21)20-12-10-19(11-13-20)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3
InChIKeyLVWNWKJWEOCQGC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.35
Rot. Bonds2

About (4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 706998) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID706998
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H19N3O/c1-14-5-7-15(8-6-14)17(21)20-12-10-19(11-13-20)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3
InChIKeyLVWNWKJWEOCQGC-UHFFFAOYSA-N
XLogP2.35
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 706998) is (4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LVWNWKJWEOCQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-14-5-7-15(8-6-14)17(21)20-12-10-19(11-13-20)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3.
What are the key properties of (4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 706998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).