1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone

C18H27N3O — CID 95824947

IUPAC1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccnc(N3CCC(C)CC3)c2)CC1
InChIInChI=1S/C18H27N3O/c1-14-4-9-21(10-5-14)18-13-17(3-8-19-18)16-6-11-20(12-7-16)15(2)22/h3,8,13-14,16H,4-7,9-12H2,1-2H3
InChIKeyWYOYVBKADWGGIR-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.04
Rot. Bonds2

About 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 95824947) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone
PubChem CID95824947
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccnc(N3CCC(C)CC3)c2)CC1
InChIInChI=1S/C18H27N3O/c1-14-4-9-21(10-5-14)18-13-17(3-8-19-18)16-6-11-20(12-7-16)15(2)22/h3,8,13-14,16H,4-7,9-12H2,1-2H3
InChIKeyWYOYVBKADWGGIR-UHFFFAOYSA-N
XLogP3.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95824950
1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 134601157
1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
CID 110101819
1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548110
2-piperidin-1-yl-4-piperidin-4-ylpyridine
CID 165348950
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62284718
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109166494
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542
N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109166535
1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109364260

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone (CID 95824947) is 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ccnc(N3CCC(C)CC3)c2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is WYOYVBKADWGGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-4-9-21(10-5-14)18-13-17(3-8-19-18)16-6-11-20(12-7-16)15(2)22/h3,8,13-14,16H,4-7,9-12H2,1-2H3.
What are the key properties of 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 301.43 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95824947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).