[4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone

C19H24N4O4 — CID 109184431

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
SMILESCOCCCNc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc1
InChIInChI=1S/C19H24N4O4/c1-26-12-3-7-20-15-5-6-16(21-14-15)18(24)22-8-10-23(11-9-22)19(25)17-4-2-13-27-17/h2,4-6,13-14,20H,3,7-12H2,1H3
InChIKeyOEKKVOJRJAMDML-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.72
Rot. Bonds7

About [4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone (PubChem CID 109184431) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
PubChem CID109184431
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
SMILESCOCCCNc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc1
InChIInChI=1S/C19H24N4O4/c1-26-12-3-7-20-15-5-6-16(21-14-15)18(24)22-8-10-23(11-9-22)19(25)17-4-2-13-27-17/h2,4-6,13-14,20H,3,7-12H2,1H3
InChIKeyOEKKVOJRJAMDML-UHFFFAOYSA-N
XLogP1.72
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109186130
[5-(3-methoxypropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182537
[5-(3-methoxypropylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109184425
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 16676781
[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183238
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181814
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 109132957
morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109276242
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone (CID 109184431) is [4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone is COCCCNc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone?
The InChIKey is OEKKVOJRJAMDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-26-12-3-7-20-15-5-6-16(21-14-15)18(24)22-8-10-23(11-9-22)19(25)17-4-2-13-27-17/h2,4-6,13-14,20H,3,7-12H2,1H3.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone has a molecular weight of 372.43 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109184431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).