[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone

C17H26N4O — CID 109204371

IUPAC[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCCN1CCN(c2ccnc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C17H26N4O/c1-2-19-10-12-20(13-11-19)15-6-7-18-16(14-15)17(22)21-8-4-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3
InChIKeyMQXFPBCCALSQDD-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.85
Rot. Bonds3

About [4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone

[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109204371) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109204371
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCCN1CCN(c2ccnc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C17H26N4O/c1-2-19-10-12-20(13-11-19)15-6-7-18-16(14-15)17(22)21-8-4-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3
InChIKeyMQXFPBCCALSQDD-UHFFFAOYSA-N
XLogP1.85
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109208613
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204404
4-[2-(azepane-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208915
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone (CID 109204371) is [4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone is CCN1CCN(c2ccnc(C(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of [4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is MQXFPBCCALSQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-19-10-12-20(13-11-19)15-6-7-18-16(14-15)17(22)21-8-4-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3.
What are the key properties of [4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109204371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).