(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone

C18H28N4O — CID 84576814

IUPAC(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCC1CC(C)CN(C(=O)c2cccnc2N2CCN(C)CC2)C1
InChIInChI=1S/C18H28N4O/c1-14-11-15(2)13-22(12-14)18(23)16-5-4-6-19-17(16)21-9-7-20(3)8-10-21/h4-6,14-15H,7-13H2,1-3H3
InChIKeyVUDCEIKLLYOBJX-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.95
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone

(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone (PubChem CID 84576814) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
PubChem CID84576814
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCC1CC(C)CN(C(=O)c2cccnc2N2CCN(C)CC2)C1
InChIInChI=1S/C18H28N4O/c1-14-11-15(2)13-22(12-14)18(23)16-5-4-6-19-17(16)21-9-7-20(3)8-10-21/h4-6,14-15H,7-13H2,1-3H3
InChIKeyVUDCEIKLLYOBJX-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
[2-(azepan-1-yl)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 84576964
5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997
1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 84576181
(2,6-dimethylmorpholin-4-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 134016503
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 95971662
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
(2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 51966370

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone (CID 84576814) is (3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone is CC1CC(C)CN(C(=O)c2cccnc2N2CCN(C)CC2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The InChIKey is VUDCEIKLLYOBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-11-15(2)13-22(12-14)18(23)16-5-4-6-19-17(16)21-9-7-20(3)8-10-21/h4-6,14-15H,7-13H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone has a molecular weight of 316.45 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 84576814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).