(3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H21N3O — CID 912542

IUPAC(3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H21N3O/c1-14-11-15(2)13-16(12-14)18(22)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-13H,7-10H2,1-2H3
InChIKeySIPWQEPKQVWJSU-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.66
Rot. Bonds2

About (3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 912542) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID912542
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H21N3O/c1-14-11-15(2)13-16(12-14)18(22)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-13H,7-10H2,1-2H3
InChIKeySIPWQEPKQVWJSU-UHFFFAOYSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 912542) is (3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1cc(C)cc(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is SIPWQEPKQVWJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-11-15(2)13-16(12-14)18(22)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 295.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 912542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).