(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone

C16H25N5O — CID 109230061

IUPAC(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2cncc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C16H25N5O/c1-18-3-7-20(8-4-18)15-11-14(12-17-13-15)16(22)21-9-5-19(2)6-10-21/h11-13H,3-10H2,1-2H3
InChIKeyZBRPIFYONDTYNZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.22
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone

(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone (PubChem CID 109230061) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
PubChem CID109230061
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2cncc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C16H25N5O/c1-18-3-7-20(8-4-18)15-11-14(12-17-13-15)16(22)21-9-5-19(2)6-10-21/h11-13H,3-10H2,1-2H3
InChIKeyZBRPIFYONDTYNZ-UHFFFAOYSA-N
XLogP0.22
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone
CID 109230109
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 109225700
ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109230451
2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230309
[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226257
(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230456

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone (CID 109230061) is (4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone is CN1CCN(C(=O)c2cncc(N3CCN(C)CC3)c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The InChIKey is ZBRPIFYONDTYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-18-3-7-20(8-4-18)15-11-14(12-17-13-15)16(22)21-9-5-19(2)6-10-21/h11-13H,3-10H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone has a molecular weight of 303.41 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 109230061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).