(6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

C22H28N4O — CID 24792019

IUPAC(6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)n1
InChIInChI=1S/C22H28N4O/c1-18-7-5-11-21(23-18)22(27)26-12-6-10-20(17-26)25-15-13-24(14-16-25)19-8-3-2-4-9-19/h2-5,7-9,11,20H,6,10,12-17H2,1H3
InChIKeyNQVHLVNNGLUIBJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.82
Rot. Bonds3

About (6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

(6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone (PubChem CID 24792019) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
PubChem CID24792019
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)n1
InChIInChI=1S/C22H28N4O/c1-18-7-5-11-21(23-18)22(27)26-12-6-10-20(17-26)25-15-13-24(14-16-25)19-8-3-2-4-9-19/h2-5,7-9,11,20H,6,10,12-17H2,1H3
InChIKeyNQVHLVNNGLUIBJ-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 (6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone (CID 24792019) is (6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The InChIKey is NQVHLVNNGLUIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-18-7-5-11-21(23-18)22(27)26-12-6-10-20(17-26)25-15-13-24(14-16-25)19-8-3-2-4-9-19/h2-5,7-9,11,20H,6,10,12-17H2,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
(6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone 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 (6-methyl-2-pyridinyl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24792019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).