[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C18H28N4O — CID 109186812

IUPAC[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCCC(C)C3)nc2)CC1
InChIInChI=1S/C18H28N4O/c1-3-20-9-11-21(12-10-20)16-6-7-17(19-13-16)18(23)22-8-4-5-15(2)14-22/h6-7,13,15H,3-5,8-12,14H2,1-2H3
InChIKeyMIBQCRMAAJGEKI-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.10
Rot. Bonds3

About [5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109186812) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109186812
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCCC(C)C3)nc2)CC1
InChIInChI=1S/C18H28N4O/c1-3-20-9-11-21(12-10-20)16-6-7-17(19-13-16)18(23)22-8-4-5-15(2)14-22/h6-7,13,15H,3-5,8-12,14H2,1-2H3
InChIKeyMIBQCRMAAJGEKI-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109194295
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383
(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109084452
4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186964
(2-ethylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109196164
azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109182048
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109215155
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109186812) is [5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CCN1CCN(c2ccc(C(=O)N3CCCC(C)C3)nc2)CC1.
What is the InChIKey of [5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is MIBQCRMAAJGEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-20-9-11-21(12-10-20)16-6-7-17(19-13-16)18(23)22-8-4-5-15(2)14-22/h6-7,13,15H,3-5,8-12,14H2,1-2H3.
What are the key properties of [5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 316.45 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109186812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).