[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone

C22H29N5O — CID 166259892

IUPAC[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cncc(C2CCN(C(=O)c3cccc(N4CCN(C)CC4)n3)CC2)c1
InChIInChI=1S/C22H29N5O/c1-17-14-19(16-23-15-17)18-6-8-27(9-7-18)22(28)20-4-3-5-21(24-20)26-12-10-25(2)11-13-26/h3-5,14-16,18H,6-13H2,1-2H3
InChIKeyWEVSENDIACQWFJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.56
Rot. Bonds3

About [6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone

[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone (PubChem CID 166259892) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone
PubChem CID166259892
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cncc(C2CCN(C(=O)c3cccc(N4CCN(C)CC4)n3)CC2)c1
InChIInChI=1S/C22H29N5O/c1-17-14-19(16-23-15-17)18-6-8-27(9-7-18)22(28)20-4-3-5-21(24-20)26-12-10-25(2)11-13-26/h3-5,14-16,18H,6-13H2,1-2H3
InChIKeyWEVSENDIACQWFJ-UHFFFAOYSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 84574180
(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 84574061
[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(2-methylphenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 68654981
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 136554612
[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 134703286
N-(2-hydroxypropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575059
morpholin-4-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84575028
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 84570572
(5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone
CID 67738847
tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate
CID 57444915
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 122340982

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone (CID 166259892) is [6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone is Cc1cncc(C2CCN(C(=O)c3cccc(N4CCN(C)CC4)n3)CC2)c1.
What is the InChIKey of [6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is WEVSENDIACQWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-14-19(16-23-15-17)18-6-8-27(9-7-18)22(28)20-4-3-5-21(24-20)26-12-10-25(2)11-13-26/h3-5,14-16,18H,6-13H2,1-2H3.
What are the key properties of [6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone?
[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 379.51 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 166259892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).