2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C15H24N4O2 — CID 108994093

IUPAC2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOCCCNCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-21-12-4-6-16-13-15(20)19-10-8-18(9-11-19)14-5-2-3-7-17-14/h2-3,5,7,16H,4,6,8-13H2,1H3
InChIKeyBQGOMZGCZQEWIM-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.36
Rot. Bonds7

About 2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 108994093) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID108994093
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOCCCNCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-21-12-4-6-16-13-15(20)19-10-8-18(9-11-19)14-5-2-3-7-17-14/h2-3,5,7,16H,4,6,8-13H2,1H3
InChIKeyBQGOMZGCZQEWIM-UHFFFAOYSA-N
XLogP0.36
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108995090
N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972905
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-[2-(2-fluorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109000150
2-[2-(4-chlorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109002818
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276259
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
2-[(4-methylphenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108997062
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 62569653
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 108994093) is 2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is COCCCNCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is BQGOMZGCZQEWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-12-4-6-16-13-15(20)19-10-8-18(9-11-19)14-5-2-3-7-17-14/h2-3,5,7,16H,4,6,8-13H2,1H3.
What are the key properties of 2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 292.38 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108994093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).