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

C16H26N4O2 — CID 109184383

IUPAC(4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(NCCCOC)cn2)CC1
InChIInChI=1S/C16H26N4O2/c1-3-19-8-10-20(11-9-19)16(21)15-6-5-14(13-18-15)17-7-4-12-22-2/h5-6,13,17H,3-4,7-12H2,1-2H3
InChIKeyTZPQLWRKUDVNLC-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.31
Rot. Bonds7

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

(4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone (PubChem CID 109184383) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
PubChem CID109184383
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(NCCCOC)cn2)CC1
InChIInChI=1S/C16H26N4O2/c1-3-19-8-10-20(11-9-19)16(21)15-6-5-14(13-18-15)17-7-4-12-22-2/h5-6,13,17H,3-4,7-12H2,1-2H3
InChIKeyTZPQLWRKUDVNLC-UHFFFAOYSA-N
XLogP1.31
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.31
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

[5-(3-methoxypropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182537
[4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
CID 109184431
[5-(3-methoxypropylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109184425
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
(4-ethylpiperazin-1-yl)-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109364994
[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183238
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186753
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615
(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109186751
(4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109299609

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone (CID 109184383) is (4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone is CCN1CCN(C(=O)c2ccc(NCCCOC)cn2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone?
The InChIKey is TZPQLWRKUDVNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-19-8-10-20(11-9-19)16(21)15-6-5-14(13-18-15)17-7-4-12-22-2/h5-6,13,17H,3-4,7-12H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109184383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).