[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone

C20H25N5O3 — CID 109168568

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCN1CCN(c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)ccn2)CC1
InChIInChI=1S/C20H25N5O3/c1-22-6-8-23(9-7-22)18-15-16(4-5-21-18)19(26)24-10-12-25(13-11-24)20(27)17-3-2-14-28-17/h2-5,14-15H,6-13H2,1H3
InChIKeyLGHAETOIQPSTAK-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.02
Rot. Bonds3

About [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone (PubChem CID 109168568) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
PubChem CID109168568
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCN1CCN(c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)ccn2)CC1
InChIInChI=1S/C20H25N5O3/c1-22-6-8-23(9-7-22)18-15-16(4-5-21-18)19(26)24-10-12-25(13-11-24)20(27)17-3-2-14-28-17/h2-5,14-15H,6-13H2,1H3
InChIKeyLGHAETOIQPSTAK-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 [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174532
furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone
CID 109230109
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
furan-2-yl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883392
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153468
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 70703030
[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 133367981

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone (CID 109168568) is [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone is CN1CCN(c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)ccn2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The InChIKey is LGHAETOIQPSTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-22-6-8-23(9-7-22)18-15-16(4-5-21-18)19(26)24-10-12-25(13-11-24)20(27)17-3-2-14-28-17/h2-5,14-15H,6-13H2,1H3.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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 [4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 109168568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).