(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C16H24N4O — CID 110854882

IUPAC(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN1CCCCC1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4O/c1-18-9-5-3-6-14(18)16(21)20-12-10-19(11-13-20)15-7-2-4-8-17-15/h2,4,7-8,14H,3,5-6,9-13H2,1H3
InChIKeyHXYUDUXUPDKHMH-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.21
Rot. Bonds2

About (1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 110854882) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID110854882
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN1CCCCC1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4O/c1-18-9-5-3-6-14(18)16(21)20-12-10-19(11-13-20)15-7-2-4-8-17-15/h2,4,7-8,14H,3,5-6,9-13H2,1H3
InChIKeyHXYUDUXUPDKHMH-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)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

[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 95622258
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
(2S)-1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]azepane-2-carboxamide
CID 25461455
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
2-[4-[(2S)-1-methylazepane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 97203883
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 120631278
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone
CID 131927700
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
(1S,2R,3S,4S)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98267170

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 110854882) is (1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is CN1CCCCC1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is HXYUDUXUPDKHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-18-9-5-3-6-14(18)16(21)20-12-10-19(11-13-20)15-7-2-4-8-17-15/h2,4,7-8,14H,3,5-6,9-13H2,1H3.
What are the key properties of (1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110854882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).