[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone

C18H28N4O2 — CID 84576187

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCN1CCN(c2ncccc2C(=O)N2CCCCC2CCO)CC1
InChIInChI=1S/C18H28N4O2/c1-20-10-12-21(13-11-20)17-16(6-4-8-19-17)18(24)22-9-3-2-5-15(22)7-14-23/h4,6,8,15,23H,2-3,5,7,9-14H2,1H3
InChIKeyVGWFHMNFRIACIM-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.21
Rot. Bonds4

About [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone (PubChem CID 84576187) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
PubChem CID84576187
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCN1CCN(c2ncccc2C(=O)N2CCCCC2CCO)CC1
InChIInChI=1S/C18H28N4O2/c1-20-10-12-21(13-11-20)17-16(6-4-8-19-17)18(24)22-9-3-2-5-15(22)7-14-23/h4,6,8,15,23H,2-3,5,7,9-14H2,1H3
InChIKeyVGWFHMNFRIACIM-UHFFFAOYSA-N
XLogP1.21
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 84574317
[2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 125169892
(2-methylphenyl)-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 53193412
(2-piperidin-1-yl-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603771
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
[2-(bromomethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 80658457
1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 84576181
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 110903145
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108527661
3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 126445582
(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576814

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone (CID 84576187) is [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone is CN1CCN(c2ncccc2C(=O)N2CCCCC2CCO)CC1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The InChIKey is VGWFHMNFRIACIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20-10-12-21(13-11-20)17-16(6-4-8-19-17)18(24)22-9-3-2-5-15(22)7-14-23/h4,6,8,15,23H,2-3,5,7,9-14H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone has a molecular weight of 332.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 84576187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).