(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone

C16H24N4O — CID 109226454

IUPAC(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
SMILESCN1CCN(C(=O)c2cncc(N3CCCCC3)c2)CC1
InChIInChI=1S/C16H24N4O/c1-18-7-9-20(10-8-18)16(21)14-11-15(13-17-12-14)19-5-3-2-4-6-19/h11-13H,2-10H2,1H3
InChIKeyCLBDEHVZDSNNRO-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.46
Rot. Bonds2

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

(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone (PubChem CID 109226454) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
PubChem CID109226454
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
SMILESCN1CCN(C(=O)c2cncc(N3CCCCC3)c2)CC1
InChIInChI=1S/C16H24N4O/c1-18-7-9-20(10-8-18)16(21)14-11-15(13-17-12-14)19-5-3-2-4-6-19/h11-13H,2-10H2,1H3
InChIKeyCLBDEHVZDSNNRO-UHFFFAOYSA-N
XLogP1.46
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 109225700
[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226257
[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
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226519
[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238559
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226310
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226477

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone (CID 109226454) is (4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone is CN1CCN(C(=O)c2cncc(N3CCCCC3)c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone?
The InChIKey is CLBDEHVZDSNNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-18-7-9-20(10-8-18)16(21)14-11-15(13-17-12-14)19-5-3-2-4-6-19/h11-13H,2-10H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone?
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 109226454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).