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

C20H25N5O3 — CID 109230109

IUPACfuran-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2cncc(N3CCN(C(=O)c4ccco4)CC3)c2)CC1
InChIInChI=1S/C20H25N5O3/c1-22-4-6-24(7-5-22)19(26)16-13-17(15-21-14-16)23-8-10-25(11-9-23)20(27)18-3-2-12-28-18/h2-3,12-15H,4-11H2,1H3
InChIKeyAPRKKRMAHDJTLE-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.02
Rot. Bonds3

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

furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone (PubChem CID 109230109) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone
PubChem CID109230109
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Namefuran-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2cncc(N3CCN(C(=O)c4ccco4)CC3)c2)CC1
InChIInChI=1S/C20H25N5O3/c1-22-4-6-24(7-5-22)19(26)16-13-17(15-21-14-16)23-8-10-25(11-9-23)20(27)18-3-2-12-28-18/h2-3,12-15H,4-11H2,1H3
InChIKeyAPRKKRMAHDJTLE-UHFFFAOYSA-N
XLogP1.02
TPSA73.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238559
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109224407
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168568
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238550
[4-(6-amino-5-methyl-3-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 83970287
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47137505

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone (CID 109230109) is furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone is CN1CCN(C(=O)c2cncc(N3CCN(C(=O)c4ccco4)CC3)c2)CC1.
What is the InChIKey of furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is APRKKRMAHDJTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-22-4-6-24(7-5-22)19(26)16-13-17(15-21-14-16)23-8-10-25(11-9-23)20(27)18-3-2-12-28-18/h2-3,12-15H,4-11H2,1H3.
What are the key properties of furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 383.45 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 109230109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).