azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone

C18H28N4O — CID 109208613

IUPACazepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCCN1CCN(c2ccnc(C(=O)N3CCCCCC3)c2)CC1
InChIInChI=1S/C18H28N4O/c1-2-20-11-13-21(14-12-20)16-7-8-19-17(15-16)18(23)22-9-5-3-4-6-10-22/h7-8,15H,2-6,9-14H2,1H3
InChIKeyRPDRGDNYZLDQKQ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.24
Rot. Bonds3

About azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone

azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone (PubChem CID 109208613) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
PubChem CID109208613
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Nameazepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCCN1CCN(c2ccnc(C(=O)N3CCCCCC3)c2)CC1
InChIInChI=1S/C18H28N4O/c1-2-20-11-13-21(14-12-20)16-7-8-19-17(15-16)18(23)22-9-5-3-4-6-10-22/h7-8,15H,2-6,9-14H2,1H3
InChIKeyRPDRGDNYZLDQKQ-UHFFFAOYSA-N
XLogP2.24
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204371
(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 azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone (CID 109208613) is azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone is CCN1CCN(c2ccnc(C(=O)N3CCCCCC3)c2)CC1.
What is the InChIKey of azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone?
The InChIKey is RPDRGDNYZLDQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-20-11-13-21(14-12-20)16-7-8-19-17(15-16)18(23)22-9-5-3-4-6-10-22/h7-8,15H,2-6,9-14H2,1H3.
What are the key properties of azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone?
azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone has a molecular weight of 316.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 109208613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).