(4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone

C22H28N4O — CID 53149904

IUPAC(4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2)CC1
InChIInChI=1S/C22H28N4O/c1-24-13-15-26(16-14-24)22(27)19-7-5-18(6-8-19)20-9-10-21(23-17-20)25-11-3-2-4-12-25/h5-10,17H,2-4,11-16H2,1H3
InChIKeyGLDXVGISCAGNCY-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.13
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone

(4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone (PubChem CID 53149904) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone
PubChem CID53149904
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2)CC1
InChIInChI=1S/C22H28N4O/c1-24-13-15-26(16-14-24)22(27)19-7-5-18(6-8-19)20-9-10-21(23-17-20)25-11-3-2-4-12-25/h5-10,17H,2-4,11-16H2,1H3
InChIKeyGLDXVGISCAGNCY-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone (CID 53149904) is (4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone is CN1CCN(C(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone?
The InChIKey is GLDXVGISCAGNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-24-13-15-26(16-14-24)22(27)19-7-5-18(6-8-19)20-9-10-21(23-17-20)25-11-3-2-4-12-25/h5-10,17H,2-4,11-16H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-(6-piperidin-1-yl-3-pyridinyl)phenyl]methanone is sourced from PubChem (CID 53149904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).