(2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

C18H28N4O — CID 143049045

IUPAC(2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccnc(C)c1C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C18H28N4O/c1-14-4-7-19-15(2)17(14)18(23)22-12-10-21(11-13-22)16-5-8-20(3)9-6-16/h4,7,16H,5-6,8-13H2,1-3H3
InChIKeySSTRQQTUOSIFTE-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.55
Rot. Bonds2

About (2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

(2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 143049045) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID143049045
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccnc(C)c1C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C18H28N4O/c1-14-4-7-19-15(2)17(14)18(23)22-12-10-21(11-13-22)16-5-8-20(3)9-6-16/h4,7,16H,5-6,8-13H2,1-3H3
InChIKeySSTRQQTUOSIFTE-UHFFFAOYSA-N
XLogP1.55
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
CID 119059947
N-benzyl-N-[3-[1-(2,4-dimethylpyridine-3-carbonyl)piperidin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]cyclopropanecarboxamide
CID 11656284
3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
CID 68580177
(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87045188
2-(4-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 110868312
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 58716618
ethane;4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 143900234
(4,6-dimethylpyrimidin-5-yl)-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 91811655
1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one
CID 50840864
5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 53186536
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;tetrahydrochloride
CID 21060502
(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 169029279

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (CID 143049045) is (2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is Cc1ccnc(C)c1C(=O)N1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of (2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is SSTRQQTUOSIFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-4-7-19-15(2)17(14)18(23)22-12-10-21(11-13-22)16-5-8-20(3)9-6-16/h4,7,16H,5-6,8-13H2,1-3H3.
What are the key properties of (2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
(2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 316.45 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 143049045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).