(4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone

C15H24N4O — CID 105068102

IUPAC(4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cnccc1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C15H24N4O/c1-3-6-17-14-12-16-7-5-13(14)15(20)19-10-8-18(4-2)9-11-19/h5,7,12,17H,3-4,6,8-11H2,1-2H3
InChIKeyGDTFPIALDPWDRZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone (PubChem CID 105068102) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone
PubChem CID105068102
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cnccc1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C15H24N4O/c1-3-6-17-14-12-16-7-5-13(14)15(20)19-10-8-18(4-2)9-11-19/h5,7,12,17H,3-4,6,8-11H2,1-2H3
InChIKeyGDTFPIALDPWDRZ-UHFFFAOYSA-N
XLogP1.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)pyrrolidin-1-yl]-[3-(propylamino)-4-pyridinyl]methanone
CID 105070018
[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105068725
(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243093
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
(4-ethylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62172305
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
[4-(propylamino)-3-pyridinyl]-(1,4-thiazepan-4-yl)methanone
CID 81240198
[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105068580
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105069994
(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81238415
(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070704

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone (CID 105068102) is (4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone is CCCNc1cnccc1C(=O)N1CCN(CC)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone?
The InChIKey is GDTFPIALDPWDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-6-17-14-12-16-7-5-13(14)15(20)19-10-8-18(4-2)9-11-19/h5,7,12,17H,3-4,6,8-11H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105068102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).